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Author | Vets, C.; Neyts, E.C. | ||||
Title | Stabilities of bimetallic nanoparticles for chirality-selective carbon nanotube growth and the effect of carbon interstitials | Type | A1 Journal article | ||
Year | 2017 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 121 | Issue | 28 | Pages | 15430-15436 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Bimetallic nanoparticles play a crucial role in various applications. A better understanding of their properties would facilitate these applications and possibly even enable chirality-specific growth of carbon nanotubes (CNTs). We here examine the stabilities of NiFe, NiGa, and FeGa nanoparticles and the effect of carbon dissolved in NiFe nanoparticles through density functional theory (DFT) calculations and Born Oppenheimer molecular dynamics (BOMD) simulations. We establish that nanoparticles with more Fe in the core and more Ga on the surface are more stable and compare these results with well-known properties such as surface energy and atom size. Furthermore, we find that the nanoparticles become more stable with increasing carbon content, both at 0 K and at 700 K. These results provide a basis for further research into the chirality-specific growth of CNT's. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000406355700050 | Publication Date | 2017-06-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 2 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 4.536 | |||
Call Number | UA @ lucian @ c:irua:145206 | Serial | 4725 | ||
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Author | Rønnow, T.F.; Pedersen, T.G.; Partoens, B. | ||||
Title | Biexciton binding energy in fractional dimensional semiconductors | Type | A1 Journal article | ||
Year | 2012 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 85 | Issue | 4 | Pages | 045412-045412,7 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Biexcitons in fractional dimensional spaces are studied using variational quantum Monte Carlo. We investigate the biexciton binding energy as a function of the electron-hole mass fraction sigma as well as study the dimensional dependence of biexcitons for sigma = 0 and sigma = 1. As our first application of this model we treat the H(2) molecule in two and three dimensions. Next we investigate biexcitons in carbon nanotubes within the fractional dimensional model. To this end we find a relation between the nanotube radius and the effective dimension. The results of both applications are compared with results obtained using different models and we find a reasonable agreement. Within the fractional dimensional model we find that the biexciton binding energy in carbon nanotubes accurately scales as E(B)(r,epsilon) = 1280 meV angstrom/(r epsilon), as a function of radius r and the dielectric screening epsilon. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000298922200008 | Publication Date | 2012-01-06 | |
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 | 21 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.836; 2012 IF: 3.767 | ||
Call Number | UA @ lucian @ c:irua:96234 | Serial | 231 | ||
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Author | Callaert, C.; Bercx, M.; Lamoen, D.; Hadermann, J. | ||||
Title | Interstitial defects in the van der Waals gap of Bi2Se3 | Type | A1 Journal article | ||
Year | 2019 | Publication | Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) | Abbreviated Journal | Acta Crystallogr B |
Volume | 75 | Issue | 4 | Pages | 717-732 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Bi<sub>2</sub>Se<sub>3</sub>is a thermoelectric material and a topological insulator. It is slightly conducting in its bulk due to the presence of defects and by controlling the defects different physical properties can be fine tuned. However, studies of the defects in this material are often contradicting or inconclusive. Here, the defect structure of Bi<sub>2</sub>Se<sub>3</sub>is studied with a combination of techniques: high-resolution scanning transmission electron microscopy (HR-STEM), high-resolution energy-dispersive X-ray (HR-EDX) spectroscopy, precession electron diffraction tomography (PEDT), X-ray diffraction (XRD) and first-principles calculations using density functional theory (DFT). Based on these results, not only the observed defects are discussed, but also the discrepancies in results or possibilities across the techniques. STEM and EDX revealed interstitial defects with mainly Bi character in an octahedral coordination in the van der Waals gap, independent of the applied sample preparation method (focused ion beam milling or cryo-crushing). The inherent character of these defects is supported by their observation in the structure refinement of the EDT data. Moreover, the occupancy probability of the defects determined by EDT is inversely proportional to their corresponding DFT calculated formation energies. STEM also showed the migration of some atoms across and along the van der Waals gap. The kinetic barriers calculated using DFT suggest that some paths are possible at room temperature, while others are most probably beam induced. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000480512600024 | Publication Date | 2019-08-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2052-5206 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.032 | Times cited | Open Access | ||
Notes | University of Antwerp, 31445 ; Acknowledgements We thank Artem M. Abakumov for providing the original Bi2Se3 sample and are also very grateful to Christophe Vandevelde for trying repeatedly to get good single crystal X-ray diffraction data out of each of our failed attempts at making an undeformed single crystal. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. | Approved | Most recent IF: 2.032 | ||
Call Number | EMAT @ emat @c:irua:161847 | Serial | 5295 | ||
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Author | Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D. | ||||
Title | Effect of Bi bilayers on the topological states of Bi2Se3 : a first-principles study | Type | A1 Journal article | ||
Year | 2014 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 90 | Issue | 15 | Pages | 155124 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000343773200001 | Publication Date | 2014-10-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 30 | Open Access | |
Notes | ; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was 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). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ; | Approved | Most recent IF: 3.836; 2014 IF: 3.736 | ||
Call Number | UA @ lucian @ c:irua:119527 | Serial | 800 | ||
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Author | Wang, W.; Snoeckx, R.; Zhang, X.; Cha, M.S.; Bogaerts, A. | ||||
Title | Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture | Type | A1 Journal article | ||
Year | 2018 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 122 | Issue | 16 | Pages | 8704-8723 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane (CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000431151200002 | Publication Date | 2018-04-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 28 | Open Access | OpenAccess |
Notes | Federaal Wetenschapsbeleid, IAP/7 ; King Abdullah University of Science and Technology; H2020 Marie Sklodowska-Curie Actions, 657304 ; Fonds Wetenschappelijk Onderzoek, G.0217.14N G.0383.16N G.0254.14N ; | Approved | Most recent IF: 4.536 | ||
Call Number | PLASMANT @ plasmant @c:irua:150969 | Serial | 4922 | ||
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Author | Ni, S.; Houwman, E.; Gauquelin, N.; Chezganov, D.; Van Aert, S.; Verbeeck, J.; Rijnders, G.; Koster, G. | ||||
Title | Stabilizing perovskite Pb(Mg0.33Nb0.67)O3-PbTiO3 thin films by fast deposition and tensile mismatched growth template | Type | A1 Journal article | ||
Year | 2024 | Publication | ACS applied materials and interfaces | Abbreviated Journal | |
Volume | 16 | Issue | 10 | Pages | 12744-12753 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Because of its low hysteresis, high dielectric constant, and strong piezoelectric response, Pb(Mg1/3Nb2/3)O-3-PbTiO3 (PMN-PT) thin films have attracted considerable attention for the application in PiezoMEMS, field-effect transistors, and energy harvesting and storage devices. However, it remains a great challenge to fabricate phase-pure, pyrochlore-free PMN-PT thin films. In this study, we demonstrate that a high deposition rate, combined with a tensile mismatched template layer can stabilize the perovskite phase of PMN-PT films and prevent the nucleation of passive pyrochlore phases. We observed that an accelerated deposition rate promoted mixing of the B-site cation and facilitated relaxation of the compressively strained PMN-PT on the SrTiO3 (STO) substrate in the initial growth layer, which apparently suppressed the initial formation of pyrochlore phases. By employing La-doped-BaSnO3 (LBSO) as the tensile mismatched buffer layer, 750 nm thick phase-pure perovskite PMN-PT films were synthesized. The resulting PMN-PT films exhibited excellent crystalline quality close to that of the STO substrate. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001176343700001 | Publication Date | 2024-02-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 9.5 | Times cited | Open Access | ||
Notes | We would like to acknowledge the Netherlands Organization for Scientific Research (NWO) for the financial support of this work. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717-ESTEEM3. | Approved | Most recent IF: 9.5; 2024 IF: 7.504 | ||
Call Number | UA @ admin @ c:irua:204754 | Serial | 9174 | ||
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Author | Phung, Q.M.; Vancoillie, S.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. | ||||
Title | Atomic layer deposition of ruthenium on a titanium nitride surface : a density functional theory study | Type | A1 Journal article | ||
Year | 2013 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 117 | Issue | 38 | Pages | 19442-19453 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Because of its excellent properties in nanotechnology applications, atomic layer deposition of ruthenium (Ru) has been the subject of numerous experimental studies. Recently, two different Ru precursors were compared for plasma-enhanced atomic layer deposition (PEALD) of Ru, and their reactivity was found to be different. Inhibition was observed for bis(ethylcyclopentadienyl)ruthenium (Ru(EtCp)(2)), while nearly linear growth behavior was observed for (methylcyclopentadienyl-pyrrolyl)ruthenium (Ru(MeCp)Py). To understand this difference in reactivity, we investigate the adsorption of RuCp, and RuCpPy (i.e., without substituents) on a TiN surface using calculations based on periodic boundary conditions density functional theory (DFT) combined with experiments based on Rutherford backscattering spectroscopy (RBS). The calculations demonstrate that the RuCpPy precursor chemisorbs on the TiN(100) surface while the RuCp2 precursor only physisorbs. We propose a reaction mechanism for the chemisorption of RuCpPy. The area density of the calculated RuCpPy surface species is compared with the experimental values from RBS. The impact of a H-plasma is also investigated. The DFT calculations and experimental results from RBS provide insight into the adsorption processes of the RuCpPy and RuCp2 precursors on the TiN(100) surface. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000330162500022 | Publication Date | 2013-08-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447;1932-7455; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 6 | Open Access | |
Notes | Approved | Most recent IF: 4.536; 2013 IF: 4.835 | |||
Call Number | UA @ lucian @ c:irua:114855 | Serial | 170 | ||
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Author | Vagov, A.V.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. | ||||
Title | Extended Ginzburg-Landau formalism : systematic expansion in small deviation from the critical temperature | Type | A1 Journal article | ||
Year | 2012 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 85 | Issue | 1 | Pages | 014502-014502,17 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Based on the Gor'kov formalism for a clean s-wave superconductor, we develop an extended version of the single-band Ginzburg-Landau (GL) theory by means of a systematic expansion in the deviation from the critical temperature T(c), i.e., tau = 1 – T/T(c). We calculate different contributions to the order parameter and the magnetic field: the leading contributions (proportional to tau(1/2) in the order parameter and. t in the magnetic field) are controlled by the standard GL theory, while the next-to-leading terms (proportional to tau(3/2) in the gap and proportional to tau(2) in the magnetic field) constitute the extended GL (EGL) approach. We derive the free-energy functional for the extended formalism and the corresponding expression for the current density. To illustrate the usefulness of our formalism, we calculate, in a semianalytical form, the temperature-dependent correction to the GL parameter at which the surface energy becomes zero, and analytically, the temperature dependence of the thermodynamic critical field. We demonstrate that the EGL formalism is not just a mathematical extension to the theory: variations of both the gap and the thermodynamic critical field with temperature calculated within the EGL theory are found in very good agreement with the full BCS results down to low temperatures, which dramatically improves the applicability of the formalism compared to its standard predecessor. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000298985100002 | Publication Date | 2012-01-10 | |
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 | 36 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). A. V. V. is grateful to V. Zalipaev for important comments. A. A. S. thanks W. Pogosov for helpful notes. Discussions with E. H. Brandt and A. Perali are appreciated. ; | Approved | Most recent IF: 3.836; 2012 IF: 3.767 | ||
Call Number | UA @ lucian @ c:irua:96232 | Serial | 1155 | ||
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Author | Esfahani; Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. | ||||
Title | Structural transitions in monolayer MOS2 by lithium adsorption | Type | A1 Journal article | ||
Year | 2015 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 119 | Issue | 119 | Pages | 10602-10609 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Based on first-principles calculations, we study the structural stability of the H and T phases of monolayer MoS2 upon Li doping. Our calculations demonstrate that it is possible to stabilize a distorted T phase of MoS2 over the H phase through adsorption of Li atoms on the MoS2 surface. Through molecular dynamics and phonon calculations, we show that the T phase of MoS2 is dynamically unstable and undergoes considerable distortions. The type of distortion depends on the concentration of adsorbed Li atoms and changes from zigzag-like to diamond-like when increasing the Li doping. There exists a substantial energy barrier to transform the stable H phase to the distorted T phases, which is considerably reduced by increasing the concentration of Li atoms. We show that it is necessary that the Li atoms adsorb on both sides of the MoS2 monolayer to reduce the barrier sufficiently. Two processes are examined that allow for such two-sided adsorption, namely, penetration through the MoS2 layer and diffusion over the MoS2 surface. We show that while there is only a small barrier of 0.24 eV for surface diffusion, the amount of energy needed to pass through a pure MoS2 layer is of the order of similar or equal to 2 eV. However, when the MoS2 layer is covered with Li atoms the amount of energy that Li atoms should gain to penetrate the layer is drastically reduced and penetration becomes feasible. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000354912200051 | Publication Date | 2015-04-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447;1932-7455; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 96 | Open Access | |
Notes | ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl) and the Methusalem program of the Flemish government. H. S is supported by an FWO Pegasus-Long Marie Curie fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government department EWI. ; | Approved | Most recent IF: 4.536; 2015 IF: 4.772 | ||
Call Number | c:irua:126409 | Serial | 3270 | ||
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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). | ||||
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Publisher | Kluwer Academic | Place of Publication | Boston, Mass. | Editor | |
Language | Wos | 000301187600002 | Publication Date | 2011-03-28 | |
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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 | Wang, X.F.; Vasilopoulos, P.; Peeters, F.M. | ||||
Title | Spin-current modulation and square-wave transmission through periodically stubbed electron waveguides | Type | A1 Journal article | ||
Year | 2002 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 65 | Issue | 16 | Pages | 165217 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Ballistic spin transport through waveguides, with symmetric or asymmetric double stubs attached to them periodically, is studied systematically in the presence of a weak spin-orbit coupling that makes the electrons precess. By an appropriate choice of the waveguide length and of the stub parameters injected spin-polarized electrons can be blocked completely and the transmission shows a periodic and nearly-square-type behavior, with values 1 and 0, with wide gaps when only one mode is allowed to propagate in the waveguide. A similar behavior is possible for a certain range of the stub parameters even when two modes can propagate in the waveguide and the conductance is doubled. Such a structure is a good candidate for establishing a realistic spin transistor. A further modulation of the spin current can be achieved by inserting defects in a finite-number stub superlattice. Finite-temperature effects on the spin conductance are also considered. | ||||
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Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000175325000061 | Publication Date | 2002-07-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0163-1829;1095-3795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 112 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2002 IF: NA | |||
Call Number | UA @ lucian @ c:irua:95128 | Serial | 3082 | ||
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Author | Sun, C.; Street, M.; Zhang, C.; Van Tendeloo, G.; Zhao, W.; Zhang, Q. | ||||
Title | Boron structure evolution in magnetic Cr₂O₃ thin films | Type | A1 Journal article | ||
Year | 2022 | Publication | Materials Today Physics | Abbreviated Journal | |
Volume | 27 | Issue | Pages | 100753-100757 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
B substituting O in antiferromagnetic Cr2O3 is known to increase the Ne ' el temperature, whereas the actual B dopant site and the corresponding functionality remains unclear due to the complicated local structure. Herein, A combination of electron energy loss spectroscopy and first-principles calculations were used to unveil B local structures in B doped Cr2O3 thin films. B was found to form either magnetic active BCr4 tetrahedra or various inactive BO3 triangles in the Cr2O3 lattice, with a* and z* bonds exhibiting unique spectral features. Identification of BO3 triangles was achieved by changing the electron momentum transfer to manipulate the differential cross section for the 1s-z* and 1s-a* transitions. Modeling the experimental spectra as a linear combination of simulated B K edges reproduces the experimental z* / a* ratios for 15-42% of the B occupying the active BCr4 structure. This result is further supported by first-principles based thermodynamic calculations. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000827323200003 | Publication Date | 2022-06-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2542-5293 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 11.5 | Times cited | Open Access | OpenAccess | |
Notes | Approved | Most recent IF: 11.5 | |||
Call Number | UA @ admin @ c:irua:189660 | Serial | 7078 | ||
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Author | Neek-Amal, M.; Peeters, F.M. | ||||
Title | Graphene nanoribbons subjected to axial stress | Type | A1 Journal article | ||
Year | 2010 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 82 | Issue | 8 | Pages | 085432-085432,6 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Atomistic simulations are used to study the bending of rectangular graphene nanoribbons subjected to axial stress both for free boundary and supported boundary conditions. The shapes of the deformations of the buckled graphene nanoribbons, for small values of the stress, are sine waves where the number of nodal lines depend on the longitudinal size of the system and the applied boundary condition. The buckling strain for the supported boundary condition is found to be independent of the longitudinal size and estimated to be 0.86%. From a calculation of the free energy at finite temperature we find that the equilibrium projected two-dimensional area of the graphene nanoribbon is less than the area of a flat sheet. At the optimum length the boundary strain for the supported boundary condition is 0.48%. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000281065100007 | Publication Date | 2010-08-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 92 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; | Approved | Most recent IF: 3.836; 2010 IF: 3.774 | ||
Call Number | UA @ lucian @ c:irua:84583 | Serial | 1373 | ||
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Author | Psilodimitrakopoulos, S.; Orekhov, A.; Mouchliadis, L.; Jannis, D.; Maragkakis, G.M.; Kourmoulakis, G.; Gauquelin, N.; Kioseoglou, G.; Verbeeck, J.; Stratakis, E. | ||||
Title | Optical versus electron diffraction imaging of Twist-angle in 2D transition metal dichalcogenide bilayers | Type | A1 Journal article | ||
Year | 2021 | Publication | npj 2D Materials and Applications | Abbreviated Journal | |
Volume | 5 | Issue | 1 | Pages | 77 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Atomically thin two-dimensional (2D) materials can be vertically stacked with van der Waals bonds, which enable interlayer coupling. In the particular case of transition metal dichalcogenide (TMD) bilayers, the relative direction between the two monolayers, coined as twist-angle, modifies the crystal symmetry and creates a superlattice with exciting properties. Here, we demonstrate an all-optical method for pixel-by-pixel mapping of the twist-angle with a resolution of 0.55(degrees), via polarization-resolved second harmonic generation (P-SHG) microscopy and we compare it with four-dimensional scanning transmission electron microscopy (4D STEM). It is found that the twist-angle imaging of WS2 bilayers, using the P-SHG technique is in excellent agreement with that obtained using electron diffraction. The main advantages of the optical approach are that the characterization is performed on the same substrate that the device is created on and that it is three orders of magnitude faster than the 4D STEM. We envisage that the optical P-SHG imaging could become the gold standard for the quality examination of TMD superlattice-based devices. | ||||
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Language | Wos | 000694849200001 | Publication Date | 2021-09-09 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2397-7132 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 4 | Open Access | OpenAccess | |
Notes | This research has been co-financed by the European Union and Greek national funds through the Operational Program Competitiveness, Entrepreneurship and Innovation, under the call European R & T Cooperation-Grant Act of Hellenic Institutions that have successfully participated in Joint Calls for Proposals of European Networks ERA NETS (National project code: GRAPH-EYE T8 Epsilon Rho Alpha 2-00009 and European code: 26632, FLAGERA). L.M., G.Ko. and G.Ki. acknowledge funding by the Hellenic Foundation for Research and Innovation (H.F.R.I.) under the “First Call for H.F.R.I. Research Projects to support Faculty members and Researchers and the procurement of high-cost research equipment grant” (Project No: HFRI-FM17-3034). GKi, S.P. and G.M.M. acknowledge funding from a research co-financed by Greece and the European Union (European Social Fund-ESF) through the Operational Programme “Human Resources Development, Education and Lifelong Learning 2014-2020” in the context of the project “Crystal quality control of two-dimensional materials and their heterostructures via imaging of their non-linear optical properties” (MIS 5050340)“. J.V acknowledges funding from FWO G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund, EU. J.V. and N.G. acknowledge funding from the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717-ESTEEM3. J.V. N.G. and A.O. acknowledge funding through a GOA project ”Solarpaint" of the University of Antwerp. | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:181610 | Serial | 6877 | ||
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Author | Quan Manh, P.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. | ||||
Title | Atomic layer deposition of Ruthenium on Ruthenium surfaces : a theoretical study | Type | A1 Journal article | ||
Year | 2015 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 119 | Issue | 119 | Pages | 6592-6603 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract ![]() |
Atomic, layer deposition,(ALD of ruthenium using two ruthenium precursors, i.e., Ru(C5H5)(2) (RuCp2) and Ru(C5H5)(C4H4N) (RuCpPy), is studied using density functional theory. By investigating the reaction mechanisms On bare ruthenium surfaces, i.e., (001), (101), and (100), and H-terminated surfaces, an atomistic insight in the Ru ALD is provided. The calculated results show that on the Ru surfaces both RuCp2 and RuCpPy an undergo dehydrogenation and ligand dissociation reactions. RuCpPy is more reactive than RuCp2. By forming a, strong, bond between N of Py and Ru of the surface, RuCpPy can easily chemisorb on the surfaces. The reactions of RuCp2,On the Surfaces are less favorable the adsorption is not strong enough This could be a,factor contributing to the higher growth-per-cycle of Ru using RuCpPy, as observed experimentally. By Studying, the adsorption on H-terminated Ru surfaces, We showed that H Can prevent the adsorption of the precursors, thus inhibiting the growth of Ru. Our calculations indicate that the H content on the surface can have an impact on the growth-per-cycle. Finally, our simulations also demonstrate large impacts of the surface structure on the reaction mechanisms. Of the three surfaces, the (100) surface, which is the less stable and has a zigzag surface structure, is also the most reactive one. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000351970800015 | Publication Date | 2015-03-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447;1932-7455; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 10 | Open Access | |
Notes | Approved | Most recent IF: 4.536; 2015 IF: 4.772 | |||
Call Number | c:irua:125544 | Serial | 171 | ||
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Author | Filez, M.; Feng, J.-Y.; Minjauw, M.M.; Solano, E.; Poonkottil, N.; Van Daele, M.; Ramachandran, R.K.; Li, C.; Bals, S.; Poelman, H.; Detavernier, C.; Dendooven, J.; Filez, M.; Minjauw, M.; Solano, E.; Poonkottil, N.; Li, C.; Bals, S.; Dendooven, J. | ||||
Title | Shuffling atomic layer deposition gas sequences to modulate bimetallic thin films and nanoparticle properties | Type | A1 Journal article | ||
Year | 2022 | Publication | Chemistry of materials | Abbreviated Journal | |
Volume | Issue | Pages | |||
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Atomic layer deposition (ALD) typically employs metal precursors and co-reactant pulses to deposit thin films in a layer-by-layer fashion. While conventional ABAB-type ALD sequences implement only two functionalities, namely, a metal source and ligand exchange agent, additional functionalities have emerged, including etching and reduction agents. Herein, we construct gas-phase sequences-coined as ALD+-with complex-ities reaching beyond the classic ABAB-type ALD by freely combining multiple functionalities within irregular pulse schemes, e.g., ABCADC. The possibilities of such combinations are explored as a smart strategy to tailor bimetallic thin films and nanoparticle (NP) properties. By doing so, we demonstrate that bimetallic thin films can be tailored with target thickness and through the full compositional range, while the morphology can be flexibly modulated from thin films to NPs by shuI 1ing the pulse sequence. These complex pulse schemes are expected to be broadly applicable but are here explored for Pd-Ru bimetallic thin films and NPs. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000823205700001 | Publication Date | 2022-06-29 | |
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 | |
Impact Factor | Times cited | 2 | Open Access | OpenAccess | |
Notes | This research was funded by the Research Foundation, Flanders (FWO) , and the Special Research Fund BOF of Ghent University (GOA 01G01019) . M.F. and M.M.M. acknowledge the FWO for a postdoctoral research fellowship (1280621N) . N.P. acknowledges the European Union's Horizon 2020 research and innovation program under the Marie Skiodowska-Curie grant agreement no. 765378. For the GISAXS measurements, the author s received funding from the European Community's Transnational Access Program CALIPSOplus. E.S. acknowledges the Spanish project RTI2018-093996-B-C32 MICINN/FEDER funds. Air Liquide is acknowledged for supporting this research. The authors acknowledge SOLEIL for the provision of synchrotron radiation facilities and would like to thank Dr. Alessandro Coati for assistance in using beamline SiXS. The GIWAXS experiments were performed at NCD-SWEET beamline at ALBA Synchrotron with the collaboration of ALBA staff . | Approved | no | ||
Call Number | UA @ admin @ c:irua:189541 | Serial | 8928 | ||
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Author | Van Pottelberge, R.; Moldovan, D.; Milovanović, S.P.; Peeters, F.M. | ||||
Title | Molecular collapse in monolayer graphene | Type | A1 Journal article | ||
Year | 2019 | Publication | 2D materials | Abbreviated Journal | 2D Mater |
Volume | 6 | Issue | 4 | Pages | 045047 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Atomic collapse is a phenomenon inherent to relativistic quantum mechanics where electron states dive in the positron continuum for highly charged nuclei. This phenomenon was recently observed in graphene. Here we investigate a novel collapse phenomenon when multiple sub- and supercritical charges of equal strength are put close together as in a molecule. We construct a phase diagram which consists of three distinct regions: (1) subcritical, (2) frustrated atomic collapse, and (3) molecular collapse. We show that the single impurity atomic collapse resonances rearrange themselves to form molecular collapse resonances which exhibit a distinct bonding, anti-bonding and non-bonding character. Here we limit ourselves to systems consisting of two and three charges. We show that by tuning the distance between the charges and their strength a high degree of control over the molecular collapse resonances can be achieved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000487692200003 | Publication Date | 2019-08-30 | |
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 | ; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Research Foundation of Flanders (FWO-V1) through an aspirant research Grant for RVP and a postdoctoral Grant for SPM. ; | Approved | Most recent IF: 6.937 | ||
Call Number | UA @ admin @ c:irua:163756 | Serial | 5422 | ||
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Author | Zarenia, M.; Pereira, J.M.; Farias, G.A.; Peeters, F.M. | ||||
Title | Chiral states in bilayer graphene : magnetic field dependence and gap opening | Type | A1 Journal article | ||
Year | 2011 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 84 | Issue | 12 | Pages | 125451-125451,13 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
At the interface of electrostatic potential kink profiles, one-dimensional chiral states are found in bilayer graphene (BLG). Such structures can be created by applying an asymmetric potential to the upper and the lower layers of BLG. We found the following: (i) due to the strong confinement by the single kink profile, the unidirectional states are only weakly affected by a magnetic field; (ii) increasing the smoothness of the kink potential results in additional bound states, which are topologically different from those chiral states; and (iii) in the presence of a kink-antikink potential, the overlap between the oppositely moving chiral states results in the appearance of crossing and anticrossing points in the energy spectrum. This leads to the opening of tunable minigaps in the spectrum of the unidirectional topological states. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000295484300016 | Publication Date | 2011-09-30 | |
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 | 50 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), the Brazilian agency CNPq (Pronex), and the bilateral projects between Flanders and Brazil and the collaboration project FWO-CNPq. ; | Approved | Most recent IF: 3.836; 2011 IF: 3.691 | ||
Call Number | UA @ lucian @ c:irua:92915 | Serial | 358 | ||
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Author | Borah, R.; Verbruggen, S.W. | ||||
Title | Coupled plasmon modes in 2D gold nanoparticle clusters and their effect on local temperature control | Type | A1 Journal article | ||
Year | 2019 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 123 | Issue | 50 | Pages | 30594-30603 |
Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract ![]() |
Assemblies of closely separated gold nanoparticles exhibit a strong collective plasmonic response due to coupling of the plasmon modes of the individual nanostructures. In the context of self-assembly of nanoparticles, close-packed two-dimensional (2D) clusters of spherical nanoparticles present an important composite system that promises numerous applications. The present study probes the collective plasmonic characteristics and resulting photothermal behavior of close-packed 2D Au nanoparticle clusters to delineate the effects of the cluster size, interparticle distance, and particle size. Smaller nanoparticles (20 and 40 nm in diameter) that exhibit low individual scattering and high absorption were considered for their relevance to photothermal applications. In contrast to typical literature studies, the present study compares the optical response of clusters of different sizes ranging from a single nanoparticle up to large assemblies of 61 nanoparticles. Increasing the cluster size induces significant changes to the spectral position and optophysical characteristics. Based on the model outcome, an optimal cluster size for maximum absorption per nanoparticle is also determined for enhanced photothermal effects. The effect of the particle size and interparticle distance is investigated to elucidate the nature of interaction in terms of near-field and far-field coupling. The photothermal effect resulting from absorption is compared for different cluster sizes and interparticle distances considering a homogeneous water medium. A strong dependence of the steady-state temperature of the nanoparticles on the cluster size, particle position in the cluster, incident light polarization, and interparticle distance provides new physical insight into the local temperature control of plasmonic nanostructures. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000503919500061 | Publication Date | 2019-11-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 4.536 | |||
Call Number | UA @ admin @ c:irua:164530 | Serial | 5938 | ||
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Author | Ferreira da Costa, L.; de Lucena, L.C.F.L.; de Lucena, A.E.F.L.; Grangeiro de Barros, A. | ||||
Title | Use of Banana Fibers in SMA Mixtures | Type | A1 Journal article | ||
Year | 2020 | Publication | Journal Of Materials In Civil Engineering | Abbreviated Journal | J Mater Civil Eng |
Volume | 32 | Issue | 1 | Pages | 04019341 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Energy and Materials in Infrastructure and Buildings (EMIB) | ||||
Abstract ![]() |
Asphalt binder draindown is a potential issue related to stone matrix asphalt (SMA) mixtures. One convenient approach for reducing binder drainage is the use of fibers as stabilizing additives. This study assesses the feasibility of incorporating fibers from banana plants into an SMA mixture as a proposed use for residues from banana cultivation. We found the fiber content capable of preventing draindown and subsequently evaluated the influence of fiber length on the mechanical properties of an SMA mixture. Samples were prepared in a Superpave gyratory compactor with four different fiber lengths (5, 10, 15, and 20 mm) at a fixed content (0.3% by weight) and then compared to samples without fibers. Indirect tensile strength, resilient and dynamic modulus, flow number, and fatigue life tests were conducted. Overall, fibers improved the mechanical properties analyzed. These enhancements were more pronounced for the samples with 15- and 20-mm fibers. Thus, a smaller number of longer fibers was more beneficial to the fiber reinforcement of mixtures than a larger number of shorter fibers. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000497709300014 | Publication Date | 2019-11-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0899-1561 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.2 | Times cited | Open Access | ||
Notes | Approved | Most recent IF: 3.2; 2020 IF: 1.644 | |||
Call Number | UA @ admin @ c:irua:178728 | Serial | 8719 | ||
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Author | Lizin, S.; Van Passel, S.; De Schepper, E.; Vranken, L. | ||||
Title | The future of organic photovoltaic solar cells as a direct power source for consumer electronics | Type | A1 Journal article | ||
Year | 2012 | Publication | Solar Energy Materials And Solar Cells | Abbreviated Journal | Sol Energ Mat Sol C |
Volume | 103 | Issue | Pages | 1-10 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM) | ||||
Abstract ![]() |
As the search for marketable photovoltaic solar cells continues, organic photovoltaic (OPV) solar cells have been identified as a technology with many attractive features for commercialization. Most photovoltaic technologies on the market today were improved in the consumer electronics market segment. A similar evolution has been envisioned for OPV. Hence this paper investigates consumer preferences for solar cells directly powering consumer electronics. Choice experiments were designed and responses were collected using a random sample of 300 individuals from the Flemish region (northern part of Belgium). Results allow for computation of attribute importance, willingness to pay (WTP), and simulation of theoretical market share. These measures point towards OPV being able to reach considerable market share in the long run, bearing in mind that efforts are first needed in elevating OPV's efficiency and lifetime as they most determine consumers' preferences. Price is found to be the least important product characteristic for OPV solar cells to be incorporated in consumer electronics devices. We therefore warn against generalizing attributes' importance across the boundaries of market segments. (C) 2012 Elsevier B.V. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000306044300001 | Publication Date | 2012-05-03 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0927-0248 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.784 | Times cited | 25 | Open Access | |
Notes | ; The authors would kindly want to express their gratitude towards every survey respondent and participant for their preliminary work. Also the authors are much obliged to INTERREG and the ORGANEXT project for their financial support, without which it would have been impossible to conduct this research. Last but not least, we would like to thank the reviewers for their insightful comments which allowed for fine tuning our work. ; | Approved | Most recent IF: 4.784; 2012 IF: 4.630 | ||
Call Number | UA @ admin @ c:irua:127556 | Serial | 6267 | ||
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Author | McCalla, E.; Abakumov, A.; Rousse, G.; Reynaud, M.; Sougrati, M.T.; Budic, B.; Mahmoud, A.; Dominko, R.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.; | ||||
Title | Novel complex stacking of fully-ordered transition metal layers in Li4FeSbO6 materials | Type | A1 Journal article | ||
Year | 2015 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 27 | Issue | 27 | Pages | 1699-1708 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
As part of a broad project to explore Li4MM'O-6 materials (with M and M' being selected from a wide variety of metals) as positive electrode materials for Li-ion batteries, the structures of Li4FeSbO6 materials with both stoichiometric and slightly deficient lithium contents are studied here. For lithium content varying from 3.8 to 4.0, the color changes from yellow to black and extra superstructure peaks are seen in the XRD patterns. These extra peaks appear as satellites around the four superstructure peaks affected by the stacking of the transition metal atoms. Refinements of both XRD and neutron scattering patterns show a nearly perfect ordering of Li, Fe, and Sb in the transition metal layers of all samples, although these refinements must take the stacking faults into account in order to extract information about the structure of the TM layers. The structure of the most lithium rich sample, where the satellite superstructure peaks are seen, was determined with the help of HRTEM, XRD, and neutron scattering. The satellites arise due to a new stacking sequence where not all transition metal layers are identical but instead two slightly different compositions stack in an AABB sequence giving a unit cell that is four times larger than normal for such monoclinic layered materials. The more lithium deficient samples are found to contain metal site vacancies based on elemental analysis and Mossbauer spectroscopy results. The significant changes in physical properties are attributed to the presence of these vacancies. This study illustrates the great importance of carefully determining the final compositions in these materials, as very small differences in compositions may have large impacts on structures and properties. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000350919000032 | Publication Date | 2015-02-12 | |
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 | 22 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 2015 IF: 8.354 | |||
Call Number | c:irua:125469 | Serial | 2373 | ||
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Author | Vodolazov, D.I.; Peeters, F.M. | ||||
Title | Dynamic transitions between metastable states in a superconducting ring | Type | A1 Journal article | ||
Year | 2002 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 66 | Issue | 5 | Pages | 054537-054537,7 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Applying the time-dependent Ginzburg-Landau equations, transitions between metastable states of a superconducting ring are investigated in the presence of an external magnetic field. It is shown that if the ring exhibits several metastable states at a particular magnetic field, the transition from one metastable state to another one is governed by both the relaxation time of the absolute value of the order parameter tau(\psi\) and the relaxation time of the phase of the order parameter tau(phi). We found that the larger the ratio tau(\psi\)/tau(phi), the closer the final state will be to the absolute minimum of the free energy, i.e., the thermodynamic equilibrium. The transition to the final state occurs through a subsequent set of single phase slips at a particular point along the ring. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000177873000143 | Publication Date | 2002-08-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0163-1829;1095-3795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 34 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2002 IF: NA | |||
Call Number | UA @ lucian @ c:irua:94917 | Serial | 768 | ||
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Author | Lottini, E.; López-Ortega, A.; Bertoni, G.; Turner, S.; Meledina, M.; Van Tendeloo, G.; de Julián Fernández, C.; Sangregorio, C. | ||||
Title | Strongly Exchange Coupled Core|Shell Nanoparticles with High Magnetic Anisotropy: A Strategy toward Rare-Earth-Free Permanent Magnets | Type | A1 Journal article | ||
Year | 2016 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 28 | Issue | 28 | Pages | 4214-4222 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Antiferromagnetic(AFM)|ferrimagnetic(FiM) core|shell (CS) nanoparticles (NPs) of formula Co0.3Fe0.7O|Co0.6Fe2.4O4 with mean diameter from 6 to 18 nm have been synthesized through a one-pot thermal decomposition process. The CS structure has been generated by topotaxial oxidation of the core region, leading to the formation of a highly monodisperse single inverted AFM|FiM CS system with variable AFM-core diameter and constant FiM-shell thickness (~2 nm). The sharp interface, the high structural matching between both phases and the good crystallinity of the AFM material have been structurally demonstrated and are corroborated by the robust exchange-coupling between AFM and FiM phases, which gives rise to one among the largest exchange bias (HE) values ever reported for CS NPs (8.6 kOe) and to a strongly enhanced coercive field (HC). In addition, the investigation of the magnetic properties as a function of the AFM-core size (dAFM), revealed a non-monotonous trend of both HC and HE, which display a maximum value for dAFM = 5 nm (19.3 and 8.6 kOe, respectively). These properties induce a huge improvement of the capability of storing energy of the material, a result which suggests that the combination of highly anisotropic AFM|FiM materials can be an efficient strategy towards the realization of novel Rare Earth-free permanent magnets. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000378973100013 | Publication Date | 2016-05-20 | |
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 | 48 | Open Access | |
Notes | This work was supported by the EU-FP7 through NANOPYME Project (No. 310516) and Integrated Infrastructure Initiative ESTEEM2 (No. 312483). S.T. gratefully acknowledges the FWO Flanders for a post-doctoral scholarship.; esteem2_ta | Approved | Most recent IF: 9.466 | ||
Call Number | c:irua:134084 c:irua:134084 | Serial | 4092 | ||
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Author | Bals, S.; Van Tendeloo, G.; Kisielowski, C. | ||||
Title | A new approach for electron tomography: annular dark-field transmission electron microscopy | Type | A1 Journal article | ||
Year | 2006 | Publication | Advanced materials | Abbreviated Journal | Adv Mater |
Volume | 18 | Issue | 7 | Pages | 892-895 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Annular dark-field transmission electron microscopy uses an annular objective aperture that blocks the central beam and all electrons scattered up to a certain serniangle. A contrast suitable for electron tomography is generated and 3D reconstructions of CdTe tetrapods and C nanotubes (see figure) are successfully obtained. With short exposure times and high contrast, the technique could be useful not only for materials science, but also for biological applications. | ||||
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Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000236950500013 | Publication Date | 2006-03-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0935-9648;1521-4095; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 19.791 | Times cited | 53 | Open Access | |
Notes | Fwo | Approved | Most recent IF: 19.791; 2006 IF: NA | ||
Call Number | UA @ lucian @ c:irua:58258 | Serial | 2306 | ||
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Author | Michel, K.H.; Costamagna; Peeters, F.M. | ||||
Title | Theory of anharmonic phonons in two-dimensional crystals | Type | A1 Journal article | ||
Year | 2015 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 91 | Issue | 91 | Pages | 134302 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract ![]() |
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semiempirical model for anharmonic couplings of third and fourth orders, we study the in-plane and out-of-plane (flexural) mode components of the generalized wave vector dependent Gruneisen parameters, the thermal tension and the thermal expansion coefficients as a function of temperature and crystal size. From the resonances of the displacement-displacement correlation functions, we obtain the renormalization and decay rate of in-plane and flexural phonons as a function of temperature, wave vector, and crystal size in the classical and in the quantum regime. Quantitative results are presented for graphene. There, we find that the transition temperature T-alpha from negative to positive thermal expansion is lowered with smaller system size. Renormalization of the flexural mode has the opposite effect and leads to values of T-alpha approximate to 300 K for systems of macroscopic size. Extensive numerical analysis throughout the Brillouin zone explores various decay and scattering channels. The relative importance of normal and umklapp processes is investigated. The work is complementary to crystalline membrane theory and computational studies of anharmonic effects in two-dimensional crystals. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000353031000001 | Publication Date | 2015-04-17 | |
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 | 38 | Open Access | |
Notes | ; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the EuroGRAPHENE project CONGRAN. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
Call Number | UA @ lucian @ c:irua:132512 | Serial | 4263 | ||
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Author | Kus, M.; Altantzis, T.; Vercauteren, S.; Caretti, I.; Leenaerts, O.; Batenburg, K.J.; Mertens, M.; Meynen, V.; Partoens, B.; Van Doorslaer, S.; Bals, S.; Cool, P. | ||||
Title | Mechanistic Insight into the Photocatalytic Working of Fluorinated Anatase {001} Nanosheets | Type | A1 Journal article | ||
Year | 2017 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
Volume | 121 | Issue | 121 | Pages | 26275-26286 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Laboratory of adsorption and catalysis (LADCA) | ||||
Abstract ![]() |
Anatase nanosheets with exposed {001} facets have gained increasing interest for photocatalytic applications. To fully understand the structure-to-activity relation, combined experimental and computational methods have been exploited. Anatase nanosheets were prepared under hydrothermal conditions in the presence of fluorine ions. High resolution scanning transmission electron microscopy was used to fully characterize the synthesized material, confirming the TiO2 nanosheet morphology. Moreover, the surface structure and composition of a single nanosheet could be determined by annular bright-field scanning transmission electron microscopy (ABF-STEM) and STEM electron energy loss spectroscopy (STEM-EELS). The photocatalytic activity was tested for the decomposition of organic dyes rhodamine 6G and methyl orange and compared to a reference TiO2 anatase sample. The anatase nanosheets with exposed {001} facets revealed a significantly lower photocatalytic activity compared to the reference. In order to understand the mechanism for the catalytic performance, and to investigate the role of the presence of F−, light-induced electron paramagnetic resonance (EPR) experiments were performed. The EPR results are in agreement with TEM, proving the presence of Ti3+ species close to the surface of the sample and allowing the analysis of the photoinduced formation of paramagnetic species. Further, ab initio calculations of the anisotropic effective mass of electrons and electron holes in anatase show a very high effective mass of electrons in the [001] direction, having a negative impact on the mobility of electrons toward the {001} surface and thus the photocatalysis. Finally, motivated by the experimental results that indicate the presence of fluorine atoms at the surface, we performed ab initio calculations to determine the position of the band edges in anatase slabs with different terminations of the {001} surface. The presence of fluorine atoms near the surface is shown to strongly shift down the band edges, which indicates another reason why it can be expected that the prepared samples with a large amount of {001} surface, but with fluorine atoms near the surface, show only a low photocatalytic activity. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000417228500017 | Publication Date | 2017-11-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1932-7447 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.536 | Times cited | 20 | Open Access | OpenAccess |
Notes | The authors acknowledge the University of Antwerp for financial support in the frame of a GOA project. S.B. acknowledges funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOM. S.V.D. and V.M. acknowledge funding from the Fund for Scientific Research-Flanders (G.0687.13). T.A. acknowledges financial support from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); saraecas; ECAS_Sara; | Approved | Most recent IF: 4.536 | ||
Call Number | EMAT @ emat @c:irua:147240UA @ admin @ c:irua:147240 | Serial | 4771 | ||
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Author | Parsons, T.G.; d' Hondt, H.; Hadermann, J.; Hayward, M.A. | ||||
Title | Synthesis and structural characterization of La1-xAxMnO2.5 (A = Ba, Sr, Ca) phases: mapping the variants of the brownmillerite structure | Type | A1 Journal article | ||
Year | 2009 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 21 | Issue | 22 | Pages | 5527-5538 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
Analysis of the structural parameters of phases that adopt brownmillerite-type structures suggests the distribution of the different complex ordering schemes adopted within this structure type can be rationalized by considering both the size of the separation between the tetrahedral layers and the tetrahedral chain distortion angle. A systematic study using structural data obtained from La1−xAxMnO2,5 (A = Ba, Sr, Ca,) phases, prepared by the topotactic reduction of the analogous La1−xAxMnO3 perovskite phases, was performed to investigate this relationship. By manipulating the A-cation composition, both the tetrahedral layer separation and tetrahedral chain distortion angle in the La1−xAxMnO2,5 phases were controlled and from the data obtained a ¡°structure map¡± of the different brownmillerite variants was plotted as a function of these structural parameters. This map has been extended to include a wide range of reported brownmillerite phases showing the structural ideas presented are widely applicable. The complete structural characterization of La1−xAxMnO2,5 0.1 ¡Ü x ¡Ü 0.33, A = Ba; 0.15 ¡Ü x ¡Ü 0.5 A = Sr, and 0.22 ¡Ü x ¡Ü 0.5 A = Ca is described and includes compositions which exhibit complex intralayer ordered structures and Mn2+/Mn3+ charge ordering. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000271756400021 | Publication Date | 2009-10-29 | |
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 | 60 | Open Access | |
Notes | Iap Vi | Approved | Most recent IF: 9.466; 2009 IF: 5.368 | ||
Call Number | UA @ lucian @ c:irua:79935 | Serial | 3435 | ||
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Author | Ovsyannikov, S.V.; Karkin, A.E.; Morozova, N.V.; Shchennikov, V.V.; Bykova, E.; Abakumov, A.M.; Tsirlin, A.A.; Glazyrin, K.V.; Dubrovinsky, L. | ||||
Title | A hard oxide semiconductor with a direct and narrow bandgap and switchable pn electrical conduction | Type | A1 Journal article | ||
Year | 2014 | Publication | Advanced materials | Abbreviated Journal | Adv Mater |
Volume | 26 | Issue | 48 | Pages | 8185-8191 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
An oxide semiconductor (perovskite-type Mn2O3) is reported which has a narrow and direct bandgap of 0.45 eV and a high Vickers hardness of 15 GPa. All the known materials with similar electronic band structures (e.g., InSb, PbTe, PbSe, PbS, and InAs) play crucial roles in the semiconductor industry. The perovskite-type Mn2O3 described is much stronger than the above semiconductors and may find useful applications in different semiconductor devices, e.g., in IR detectors. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000346480800016 | Publication Date | 2014-10-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0935-9648; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 19.791 | Times cited | 27 | Open Access | |
Notes | Approved | Most recent IF: 19.791; 2014 IF: 17.493 | |||
Call Number | UA @ lucian @ c:irua:122230 | Serial | 1408 | ||
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Author | Gehrke, K.; Moshnyaga, V.; Samwer, K.; Lebedev, O.I.; Verbeeck, J.; Kirilenko, D.; Van Tendeloo, G. | ||||
Title | Interface controlled electronic variations in correlated heterostructures | Type | A1 Journal article | ||
Year | 2010 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 82 | Issue | 11 | Pages | 113101,1-113101,4 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract ![]() |
An interface modification of (LaCa)MnO3-BaTiO3 superlattices was found to massively influence magnetic and magnetotransport properties. Moreover it determines the crystal structure of the manganite layers, changing it from orthorhombic (Pnma) for the conventional superlattice (cSL), to rhombohedral (R3̅ c) for the modified one (mSL). While the cSL shows extremely nonlinear ac transport, the mSL is an electrically homogeneous material. The observations go beyond an oversimplified picture of dead interface layers and evidence the importance of electronic correlations at perovskite interfaces. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000281643200001 | Publication Date | 2010-09-07 | |
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 | 9 | Open Access | |
Notes | This work was supported by DFG via SFB 602, TPA2. | Approved | Most recent IF: 3.836; 2010 IF: 3.774 | ||
Call Number | UA @ lucian @ c:irua:84249UA @ admin @ c:irua:84249 | Serial | 1691 | ||
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