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Author | Saniz, R.; Dixit, H.; Lamoen, D.; Partoens, B. | ||||
Title | Quasiparticle energies and uniaxial pressure effects on the properties of SnO2 | Type | A1 Journal article | ||
Year | 2010 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 97 | Issue | Pages | 261901-261901,3 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | We calculate the quasiparticle energy spectrum of SnO2 within the GW approximation, properly taking into account the contribution of core levels to the energy corrections. The calculated fundamental gap is of 3.85 eV. We propose that the difference with respect to the experimental optical gap (3.6 eV) is due to excitonic effects in the latter. We further consider the effect applied on uniaxial pressure along the c-axis. Compared to GW, the effect of pressure on the quasiparticle energies and band gap is underestimated by the local-density approximation. The quasiparticle effective masses, however, appear to be well described by the latter. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000285768100015 | Publication Date | 2010-12-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited ![]() |
23 | Open Access | |
Notes | Iwt; Fwo; Bof-Noi | Approved | Most recent IF: 3.411; 2010 IF: 3.841 | ||
Call Number | UA @ lucian @ c:irua:85759 | Serial | 2803 | ||
Permanent link to this record | |||||
Author | Bultinck, E.; Mahieu, S.; Depla, D.; Bogaerts, A. | ||||
Title | Reactive sputter deposition of TiNx films, simulated with a particle-in-cell/Monte Carlo collisions model | Type | A1 Journal article | ||
Year | 2009 | Publication | New journal of physics | Abbreviated Journal | New J Phys |
Volume | 11 | Issue | Pages | 023039,1-023039,24 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The physical processes in an Ar/N2 magnetron discharge used for the reactive sputter deposition of TiNx thin films were simulated with a 2d3v particle-in-cell/Monte Carlo collisions (PIC/MCC) model. Cathode currents and voltages were calculated self-consistently and compared with experiments. Also, ion fractions were calculated and validated with mass spectrometric measurements. With this PIC/MCC model, the influence of N2/Ar gas ratio on the particle densities and fluxes was investigated, taking into account the effect of the poisoned state of the target. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Bristol | Editor | ||
Language | Wos | 000263744100001 | Publication Date | 2009-02-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1367-2630; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.786 | Times cited ![]() |
23 | Open Access | |
Notes | Approved | Most recent IF: 3.786; 2009 IF: 3.312 | |||
Call Number | UA @ lucian @ c:irua:73150 | Serial | 2825 | ||
Permanent link to this record | |||||
Author | McCalla, E.; Prakash, A.S.; Berg, E.; Saubanere, M.; Abakumov, A.M.; Foix, D.; Klobes, B.; Sougrati, M.T.; Rousse, G.; Lepoivre, F.; Mariyappan, S.; Doublet, M.L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.; | ||||
Title | Reversible Li-intercalation through oxygen reactivity in Li-rich Li-Fe-Te oxide materials | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of the electrochemical society | Abbreviated Journal | J Electrochem Soc |
Volume | 162 | Issue | 162 | Pages | A1341-A1351 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Lithium-rich oxides are a promising class of positive electrode materials for next generation lithium-ion batteries, and oxygen plays a prominent role during electrochemical cycling either by forming peroxo-like species and/or by irreversibly forming oxygen gas during first charge. Here, we present Li-Fe-Te-O materials which show a tremendous amount of oxygen gas release. This oxygen release accounts for nearly all the capacity during the first charge and results in vacancies as seen by transmission electron microscopy. There is no oxidation of either metal during charge but significant changes in their environments. These changes are particularly extreme for tellurium. XRD and neutron powder diffraction both show limited Changes during cycling and no appreciable change in lattice parameters. A density functional theory study of this material is performed and demonstrates that the holes created on some of the oxygen atoms upon oxidation are partially stabilized through the formation of shorter O-O bonds, i.e. (O-2)(n-) species which on further delithiation show a spontaneous O-2 de-coordination from the cationic network and migration to the now empty lithium layer. The rate limiting step during charge is undoubtedly the diffusion of oxygen either out along the lithium layer or via columns of oxygen atoms. (C) 2015 The Electrochemical Society. All rights reserved. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000355643700030 | Publication Date | 2015-04-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0013-4651;1945-7111; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.259 | Times cited ![]() |
23 | Open Access | |
Notes | Approved | Most recent IF: 3.259; 2015 IF: 3.266 | |||
Call Number | c:irua:126445 | Serial | 2903 | ||
Permanent link to this record | |||||
Author | Abakumov, A.M.; Hadermann, J.; Batuk, M.; d' Hondt, H.; Tyablikov, O.A.; Rozova, M.G.; Pokholok, K.V.; Filimonov, D.S.; Sheptyakov, D.V.; Tsirlin, A.A.; Niermann, D.; Hemberger, J.; Van Tendeloo, G.; Antipov, E.V. | ||||
Title | Slicing the Perovskite structure with crystallographic shear planes : the AnBnO3n-2 homologous series | Type | A1 Journal article | ||
Year | 2010 | Publication | Inorganic chemistry | Abbreviated Journal | Inorg Chem |
Volume | 49 | Issue | 20 | Pages | 9508-9516 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A new AnBnO3n−2 homologous series of anion-deficient perovskites has been evidenced by preparation of the members with n = 5 (Pb2.9Ba2.1Fe4TiO13) and n = 6 (Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16) in a single phase form. The crystal structures of these compounds were determined using a combination of transmission electron microscopy and X-ray and neutron powder diffraction (S.G. Ammm, a = 5.74313(7), b = 3.98402(4), c = 26.8378(4) Å, RI = 0.035, RP = 0.042 for Pb2.9Ba2.1Fe4TiO13 and S.G. Imma, a = 5.7199(1), b = 3.97066(7), c = 32.5245(8) Å, RI = 0.032, RP = 0.037 for Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16). The crystal structures of the AnBnO3n−2 homologues are formed by slicing the perovskite structure with (01)p crystallographic shear (CS) planes. The shear planes remove a layer of oxygen atoms and displace the perovskite blocks with respect to each other by the 1/2[110]p vector. The CS planes introduce edge-sharing connections of the transition metal−oxygen polyhedra at the interface between the perovskite blocks. This results in intrinsically frustrated magnetic couplings between the perovskite blocks due to a competition of the exchange interactions between the edge- and the corner-sharing metal−oxygen polyhedra. Despite the magnetic frustration, neutron powder diffraction and Mssbauer spectroscopy reveal that Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 are antiferromagnetically ordered below TN = 407 and 343 K, respectively. The Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 compounds are in a paraelectric state in the 5−300 K temperature range. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Easton, Pa | Editor | ||
Language | Wos | 000282783400051 | Publication Date | 2010-09-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0020-1669;1520-510X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.857 | Times cited ![]() |
23 | Open Access | |
Notes | Esteem 026019; Fwo | Approved | Most recent IF: 4.857; 2010 IF: 4.326 | ||
Call Number | UA @ lucian @ c:irua:84963 | Serial | 3041 | ||
Permanent link to this record | |||||
Author | Chang, K.; Peeters, F.M. | ||||
Title | Spin-polarized ballistic transport in diluted magnetic semiconductor quantum wire systems | Type | A1 Journal article | ||
Year | 2003 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 68 | Issue | Pages | 205320,1-5 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000187314400058 | Publication Date | 2003-11-23 | |
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 ![]() |
23 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2003 IF: NA | |||
Call Number | UA @ lucian @ c:irua:69378 | Serial | 3096 | ||
Permanent link to this record | |||||
Author | Shpanchenko, R.V.; Nistor, L.; Van Tendeloo, G.; van Landuyt, J.; Amelinckx, S. | ||||
Title | Structural studies on new ternary oxides Ba8Ta4Ti3O24 and Ba10Ta7.04Ti1.2O30 | Type | A1 Journal article | ||
Year | 1995 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 114 | Issue | 2 | Pages | 560-574 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The ternary oxides Ba8Ta4Ti3O24 and Ba10Ta7.04Ti1.2O30 were synthesized and their crystal structures and defects were studied by means of X-ray powder diffraction, electron diffraction, and high resolution electron microscopy. The crystal structure of Ba8Ta4Ti3O24 is based on the 8H (cchc)(2) close-packed stacking (a 10.0314 Angstrom, c = 18.869 Angstrom, SG P6(3)/mcm, Z = 3) and that of Ba10Ta7.04Ti1.2O30 and on the 10H (cchcc)(2) close-packed stacking (a = 5.7981 Angstrom, c = 23.755 Angstrom, SG P6(3)/mmc, Z = 1) of BaO3 layers. The structural refinements gave the following values for the R factors for Ba8Ta4Ti3O24 (Ba10Ta7.04Ti1.2O30) R(I) = 0.041 (0.039), R(P) = 0.108 (0.118), and R(wP) = 0.094 (0.099). The main feature of both structures is the presence of two types of face-sharing octahedra (FSO) with different occupancies by Ta atoms, Ti atoms, and vacancies, which results in the formation of a superstructure. It was shown that in the Ba8Ta4Ti3O24 structure these pairs of FSO occur in an ordered fashion and in the Ba10Ta7.04Ti1.2O30 structure in a disordered fashion. The existence of the wide range of solid solutions was shown to be also a consequence of the presence of one of the two types of face-sharing octahedra. (C) 1995 Academic Press, Inc, | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | A1995QH33100040 | Publication Date | 2002-10-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.133 | Times cited ![]() |
23 | Open Access | |
Notes | Approved | ||||
Call Number | UA @ lucian @ c:irua:13289 | Serial | 3261 | ||
Permanent link to this record | |||||
Author | Baguer, N.; Georgieva, V.; Calderin, L.; Todorov, I.T.; van Gils, S.; Bogaerts, A. | ||||
Title | Study of the nucleation and growth of TiO2 and ZnO thin films by means of molecular dynamics simulations | Type | A1 Journal article | ||
Year | 2009 | Publication | Journal of crystal growth | Abbreviated Journal | J Cryst Growth |
Volume | 311 | Issue | 16 | Pages | 4034-4043 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The nucleation and growth of titanium dioxide (TiO2) and zinc oxide (ZnO) thin films on Fe2O3 (hematite), Al2O3 (á-alumina) and SiO2 (á-quartz) are studied by molecular dynamics simulations. The results show the formation of a strong interface region between the substrate and the film in the six systems studied here. A combination of polycrystalline and amorphous phases are observed in the TiO2 films grown on the three substrates. ZnO deposition on the Fe2O3 and Al2O3 crystals yields a monocrystalline film growth. The ZnO film deposited on the SiO2 crystal exhibits less crystallinity. The simulation results are compared with experimental results available in the literature. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000269580100012 | Publication Date | 2009-06-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-0248; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.751 | Times cited ![]() |
23 | Open Access | |
Notes | Approved | Most recent IF: 1.751; 2009 IF: 1.534 | |||
Call Number | UA @ lucian @ c:irua:77453 | Serial | 3338 | ||
Permanent link to this record | |||||
Author | Alekseeva, A.M.; Abakumov, A.M.; Rozova, M.G.; Antipov, E.V.; Hadermann, J. | ||||
Title | Synthesis and crystal structure of the Sr2MnGa(O,F)6 oxyfluorides | Type | A1 Journal article | ||
Year | 2004 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 177 | Issue | Pages | 731-738 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000220513000016 | Publication Date | 2003-10-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-4596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.299 | Times cited ![]() |
23 | Open Access | |
Notes | Approved | Most recent IF: 2.299; 2004 IF: 1.815 | |||
Call Number | UA @ lucian @ c:irua:43874 | Serial | 3431 | ||
Permanent link to this record | |||||
Author | Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. | ||||
Title | Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure | Type | A1 Journal article | ||
Year | 2009 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal | Acta Crystallogr A |
Volume | 65 | Issue | Pages | 227-231 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Copenhagen | Editor | ||
Language | Wos | 000264927100006 | Publication Date | 2009-03-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0108-7673; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.725 | Times cited ![]() |
23 | Open Access | |
Notes | Fwo G.0425.05; Esteem 026019 | Approved | Most recent IF: 5.725; 2009 IF: 49.926 | ||
Call Number | UA @ lucian @ c:irua:74565 | Serial | 3497 | ||
Permanent link to this record | |||||
Author | Arakcheeva, A.; Pattison, P.; Chapuis, G.; Rossell, M.; Filaretov, A.; Morozov, V.; Van Tendeloo, G. | ||||
Title | KSm(MoO4)2, an incommensurately modulated and partially disordered scheelite-like structure | Type | A1 Journal article | ||
Year | 2008 | Publication | Acta crystallographica: section B: structural science | Abbreviated Journal | Acta Crystallogr B |
Volume | 64 | Issue | Part 2 | Pages | 160-171 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The incommensurately modulated scheelite-like KSm( MoO4)(2) structure has been refined in the monoclinic superspace group I2/b(alpha beta 0)00 by the Rietveld method on the basis of synchrotron radiation powder diffraction data. The systematic broadening of satellite reflections has been accounted for by applying anisotropic microstrain line-broadening. The microstructure has been studied by transmission electron microscopy (TEM). The partial disorder of the K and Sm cations in the A position is best approximated by a combination of harmonic and complex crenel functions with (0.952Sm + 0.048K) and (0.952K + 0.048Sm) atomic domains. This combination yields a compositional wave distribution from {KMoO4} to {SmMoO4} observed in the ab structure projection along q. The specific features of KSm(MoO4)(2) and degree of the A-cation ordering are discussed in comparison with the previously reported structure of KNd(MoO4)(2). | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Copenhagen | Editor | ||
Language | Wos | 000253992600004 | Publication Date | 2008-03-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0108-7681; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited ![]() |
23 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:102618 | Serial | 3539 | ||
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Author | Grodzińska, D.; Evers, W.H.; Dorland, R.; van Rijssel, J.; van Huis, M.A.; Meijerink, A.; de Mello Donegá, C.; Vanmaekelbergh, D. | ||||
Title | Two-fold emission from the S-shell of PbSe/CdSe core/shell quantum dots | Type | A1 Journal article | ||
Year | 2011 | Publication | Small | Abbreviated Journal | Small |
Volume | 7 | Issue | 24 | Pages | 3493-3501 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The optical properties of PbSe/CdSe core/shell quantum dots with core sizes smaller than 4 nm in the 5300 K range are reported. The photoluminescence spectra show two peaks, which become increasingly separated in energy as the core diameter is reduced below 4 nm. It is shown that these peaks are due to intrinsic exciton transitions in each quantum dot, rather than emission from different quantum dot sub-ensembles. Most likely, the energy separation between the peaks is due to inter-valley coupling between the L-points of PbSe. The temperature dependence of the relative intensities of the peaks implies that the two emitting states are not in thermal equilibrium and that dark exciton states must play an important role. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000298298300012 | Publication Date | 2011-10-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1613-6810; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.643 | Times cited ![]() |
23 | Open Access | |
Notes | Approved | Most recent IF: 8.643; 2011 IF: 8.349 | |||
Call Number | UA @ lucian @ c:irua:94371 | Serial | 3781 | ||
Permanent link to this record | |||||
Author | Shanenko, A.A.; Aguiar, J.A.; Vagov, A.; Croitoru, M.D.; Milošević, M.V. | ||||
Title | Atomically flat superconducting nanofilms: multiband properties and mean-field theory | Type | A1 Journal article | ||
Year | 2015 | Publication | Superconductor science and technology | Abbreviated Journal | Supercond Sci Tech |
Volume | 28 | Issue | 28 | Pages | 054001 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Recent progress in materials synthesis enabled fabrication of superconducting atomically flat single-crystalline metallic nanofilms with thicknesses down to a few monolayers. Interest in such nano-thin systems is attracted by the dimensional 3D-2D crossover in their coherent properties which occurs with decreasing the film thickness. The first fundamental aspect of this crossover is dictated by the Mermin-Wagner-Hohenberg theorem and concerns frustration of the long-range order due to superconductive fluctuations and the possibility to track its impact with an unprecedented level of control. The second important aspect is related to the Fabri-Perot modes of the electronic motion strongly bound in the direction perpendicular to the nanofilm. The formation of such modes results in a pronounced multiband structure that changes with the nanofilm thickness and affects both the mean-field behavior and superconductive fluctuations. Though the subject is very rich in physics, it is scarcely investigated to date. The main obstacle is that there are no manageable models to study a complex magnetic response in this case. Full microscopic consideration is rather time consuming, if practicable at all, while the standard Ginzburg-Landau theory is not applicable. In the present work we review the main achievements in the subject to date, and construct and justify an efficient multiband mean-field formalism which allows for numerical and even analytical treatment of nano-thin superconductors in applied magnetic fields. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000353015700005 | Publication Date | 2015-03-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0953-2048;1361-6668; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.878 | Times cited ![]() |
23 | Open Access | |
Notes | This work was supported by the Brazilian agencies CNPq (grants 307552/2012-8 and 141911/2012-3) and FACEPE (APQ-0589-1.05/08). AAS acknowledges fruitful discussions with A Perali and D Neilson during his stay in the University of Camerino and is thankful for partial support of his visit by the University of Camerino under the project FAR 'Control and enhancement of superconductivity by engineering materials at the nanoscale'. MDC acknowledges the support from the Back to Belgium Grant of the federal Science Policy (BELSPO). | Approved | Most recent IF: 2.878; 2015 IF: 2.325 | ||
Call Number | c:irua:132501 | Serial | 3944 | ||
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Author | Liao, Z; , Green, R.J; Gauquelin, N; Macke, S.; Li, L.; Gonnissen, J; Sutarto, R.; Houwman, E.P.; Zhong, Z.; Van Aert, S.; Verbeeck, J.; Sawatzky, G.A.; Huijben, M.; Koster, G.; Rijnders, G. | ||||
Title | Long-Range Domain Structure and Symmetry Engineering by Interfacial Oxygen Octahedral Coupling at Heterostructure Interface | Type | A1 Journal article | ||
Year | 2016 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
Volume | 26 | Issue | 26 | Pages | 6627-6634 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | In epitaxial thin film systems, the crystal structure and its symmetry deviate from the bulk counterpart due to various mechanisms such as epitaxial strain and interfacial structural coupling, which is accompanyed by a change in their properties. In perovskite materials, the crystal symmetry can be described by rotations of sixfold coordinated transition metal oxygen octahedra, which are found to be altered at interfaces. Here, it is unraveled how the local oxygen octahedral coupling at perovskite heterostructural interfaces strongly influences the domain structure and symmetry of the epitaxial films resulting in design rules to induce various structures in thin films using carefully selected combinations of substrate/buffer/film. Very interestingly it is discovered that these combinations lead to structure changes throughout the full thickness of the film. The results provide a deep insight into understanding the origin of induced structures in a perovskite heterostructure and an intelligent route to achieve unique functional properties. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000384809800010 | Publication Date | 2016-06-23 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1616-301x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.124 | Times cited ![]() |
23 | Open Access | |
Notes | We thank B. Keimer for valuable discussions. M.H., G.K. and G.R. acknowledge funding from DESCO program of the Dutch Foundation for Fundamental Research on Matter (FOM) with financial support from the Netherlands Organization for Scientific Research (NWO). This work was funded by the European Union Council under the 7th Framework Program (FP7) grant nr NMP3-LA-2010-246102 IFOX. J.V. and S.V.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0044.13N, G.0374.13N, G.0368.15N, G.0369.15N). The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. N.G., J.G., S.V.A., J.V. acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative (Reference No. 312483-ESTEEM2). The Canadian work was supported by NSERC and the Max Planck-UBC Centre for Quantum Materials. Some experiments for this work were performed at the Canadian Light Source, which is funded by the Canada Foundation for Innovation, NSERC, the National Research Council of Canada, the Canadian Institutes of Health Research, the Government of Saskatchewan, Western Economic Diversification Canada, and the University of Saskatchewan.; esteem2jra2; esteem2jra3; ECASJO_; | Approved | Most recent IF: 12.124 | ||
Call Number | EMAT @ emat @ c:irua:144663UA @ admin @ c:irua:144663 | Serial | 4106 | ||
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Author | Kinnear, C.; Rodriguez-Lorenzo, L.; Clift, M.J.D.; Goris, B.; Bals, S.; Rothen, B.; Fink, A.S. | ||||
Title | Decoupling the shape parameter to assess gold nanorod uptake by mammalian cells | Type | A1 Journal article | ||
Year | 2016 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
Volume | 8 | Issue | 8 | Pages | 16416-16426 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The impact of nanoparticles (NPs) upon biological systems can be fundamentally associated with their physicochemical parameters. A further often-stated tenet is the importance of NP shape on rates of endocytosis. However, given the convoluted parameters concerning the NP-cell interaction, it is experimentally challenging to attribute any findings to shape alone. Herein we demonstrate that shape, below a certain limit, which is specific to nanomedicine, is not important for the endocytosis of spherocylinders by either epithelial or macrophage cells in vitro. Through a systematic approach, we reshaped a single batch of gold nanorods into different aspect ratios resulting in near-spheres and studied their cytotoxicity, (pro-)inflammatory status, and endocytosis/exocytosis. It was found that on a length scale of ~10-90 nm and at aspect ratios less than 5, NP shape has little impact upon their entry into either macrophages or epithelial cells. Conversely, nanorods with an aspect ratio above 5 were preferentially endocytosed by epithelial cells, whereas there was a lack of shape dependent uptake following exposure to macrophages in vitro. These findings have implications both in the understanding of nanoparticle reshaping mechanisms, as well as in the future rational design of nanomaterials for biomedical applications. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000384531600036 | Publication Date | 2016-08-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2040-3364 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.367 | Times cited ![]() |
23 | Open Access | OpenAccess |
Notes | The authors would like to thank C. Endes for her help and technical assistance with all cell culture experiments. The work was supported by the Adolphe Merkle Foundation, the Swiss National Science Foundation (PP00P2123373), the Swiss National Science Foundation through the National Centre of Competence in Research Bio-Inspired Materials, the Flemish Fund for Scientific Research (FWO Vlaanderen) through a postdoctoral research grant, and the European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI).; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); | Approved | Most recent IF: 7.367 | ||
Call Number | c:irua:135087 c:irua:135087 | Serial | 4109 | ||
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Author | Gonnissen, J.; Batuk, D.; Nataf, G.F.; Jones, L.; Abakumov, A.M.; Van Aert, S.; Schryvers, D.; Salje, E.K.H. | ||||
Title | Direct Observation of Ferroelectric Domain Walls in LiNbO3: Wall-Meanders, Kinks, and Local Electric Charges | Type | A1 Journal article | ||
Year | 2016 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
Volume | 26 | Issue | 26 | Pages | 7599-7604 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Direct observations of the ferroelectric domain boundaries in LiNbO3 are performed using high-resolution high-angle annular dark field scanning transmission electron microscopy imaging, revealing a very narrow width of the domain wall between the 180° domains. The domain walls demonstrate local side-way meandering, which results in inclinations even when the overall wall orientation follows the ferroelectric polarization. These local meanders contain kinks with “head-to-head” and “tail-to-tail” dipolar configurations and are therefore locally charged. The charged meanders are confined to a few cation layers along the polarization direction and are separated by longer stretches of straight domain walls. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000388166700006 | Publication Date | 2016-09-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1616-301X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.124 | Times cited ![]() |
23 | Open Access | |
Notes | J.G. acknowledges the support from the Research Foundation Flanders (FWO, Belgium) through various project fundings (G.0368.15N, G.0369.15N, and G.0374.13N), as well as the financial support from the European Union Seventh Framework Program (FP7/2007–2013) under Grant agreement no. 312483 (ESTEEM2). The authors thank J. Hadermann for useful suggestions on the interpretation of the HAADFSTEM images. E.K.H.S. thanks the EPSRC (EP/K009702/1) and the Leverhulme Trust (EM-2016-004) for support. G.F.N. thanks the National Research Fund, Luxembourg (FNR/P12/4853155/Kreisel) for support.; esteem2_jra2 | Approved | Most recent IF: 12.124 | ||
Call Number | c:irua:135336 c:irua:135336 | Serial | 4129 | ||
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Author | de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. | ||||
Title | Comparison of the electronic structure of amorphous versus crystalline indium gallium zinc oxide semiconductor : structure, tail states and strain effects | Type | A1 Journal article | ||
Year | 2015 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
Volume | 48 | Issue | 48 | Pages | 435104 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We study the evolution of the structural and electronic properties of crystalline indium gallium zinc oxide (IGZO) upon amorphization by first-principles calculation. The bottom of the conduction band (BCB) is found to be constituted of a pseudo-band of molecular orbitals that resonate at the same energy on different atomic sites. They display a bonding character between the s orbitals of the metal sites and an anti-bonding character arising from the interaction between the oxygen and metal s orbitals. The energy level of the BCB shifts upon breaking of the crystal symmetry during the amorphization process, which may be attributed to the reduction of the coordination of the cationic centers. The top of the valence band (TVB) is constructed from anti-bonding oxygen p orbitals. In the amorphous state, they have random orientation, in contrast to the crystalline state. This results in the appearance of localized tail states in the forbidden gap above the TVB. Zinc is found to play a predominant role in the generation of these tail states, while gallium hinders their formation. Last, we study the dependence of the fundamental gap and effective mass of IGZO on mechanical strain. The variation of the gap under strain arises from the enhancement of the anti-bonding interaction in the BCB due to the modification of the length of the oxygen-metal bonds and/or to a variation of the cation coordination. This effect is less pronounced for the amorphous material compared to the crystalline material, making amorphous IGZO a semiconductor of choice for flexible electronics. Finally, the effective mass is found to increase upon strain, in contrast to regular materials. This counterintuitive variation is due to the reduction of the electrostatic shielding of the cationic centers by oxygen, leading to an increase of the overlaps between the metal orbitals at the origin of the delocalization of the BCB. For the range of strain typically met in flexible electronics, the induced variation in the effective mass is found to be negligible (less than 1%). | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | 000365876300012 | Publication Date | 2015-09-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0022-3727 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.588 | Times cited ![]() |
23 | Open Access | |
Notes | Approved | Most recent IF: 2.588; 2015 IF: 2.721 | |||
Call Number | UA @ lucian @ c:irua:130277 | Serial | 4153 | ||
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Author | Berdiyorov, G.R.; El-Mellouhi, F.; Madjet, M.E.; Alharbi, F.H.; Peeters, F.M.; Kais, S. | ||||
Title | Effect of halide-mixing on the electronic transport properties of organometallic perovskites | Type | A1 Journal article | ||
Year | 2016 | Publication | Solar energy materials and solar cells T2 – 2nd International Renewable and Sustainable Energy Conference (IRSEC), OCT 17-19, 2014, Ouarzazate, MOROCCO | Abbreviated Journal | Sol Energ Mat Sol C |
Volume | 148 | Issue | 148 | Pages | 2-10 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Using density-functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of iodide/chloride and iodide/bromide mixing on the electronic transport in lead based organometallic perovskite CH3NH3PbI3, which is known to be an effective tool to tune the electronic and optical properties of such materials. We found that depending on the level and position of the halide mixing, the electronic transport can be increased by more than a factor of 4 for a given voltage biasing. The largest current is observed for small concentration of bromide substitutions located at the equatorial sites. However, full halide substitution has a negative effect on the transport properties of this material: the current drops by an order of magnitude for both CH3NH3PbCl3 and CH3NH3PbBr3 samples. (C) 2015 Elsevier B.V. All rights reserved. | ||||
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Publisher | Elsevier science bv | Place of Publication | Amsterdam | Editor | |
Language | Wos | 000371944500002 | Publication Date | 2015-12-18 | |
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 ![]() |
23 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 4.784 | ||
Call Number | UA @ lucian @ c:irua:133150 | Serial | 4165 | ||
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Author | Attri, P.; Yusupov, M.; Park, J.H.; Lingamdinne, L.P.; Koduru, J.R.; Shiratani, M.; Choi, E.H.; Bogaerts, A. | ||||
Title | Mechanism and comparison of needle-type non-thermal direct and indirect atmospheric pressure plasma jets on the degradation of dyes | Type | A1 Journal article | ||
Year | 2016 | Publication | Scientific reports | Abbreviated Journal | Sci Rep-Uk |
Volume | 6 | Issue | 6 | Pages | 34419 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Purified water supply for human use, agriculture and industry is the major global priority nowadays. The advanced oxidation process based on atmospheric pressure non-thermal plasma (NTP) has been used for purification of wastewater, although the underlying mechanisms of degradation of organic pollutants are still unknown. In this study we employ two needle-type atmospheric pressure non-thermal plasma jets, i.e., indirect (ID-APPJ) and direct (D-APPJ) jets operating at Ar feed gas, for the treatment of methylene blue, methyl orange and congo red dyes, for two different times (i.e., 20 min and 30 min). Specifically, we study the decolorization/degradation of all three dyes using the above mentioned plasma sources, by means of UV-Vis spectroscopy, HPLC and a density meter. We also employ mass spectroscopy to verify whether only decolorization or also degradation takes place after treatment of the dyes by the NTP jets. Additionally, we analyze the interaction of OH radicals with all three dyes using reactive molecular dynamics simulations, based on the density functional-tight binding method. This investigation represents the first report on the degradation of these three different dyes by two types of NTP setups, analyzed by various methods, and based on both experimental and computational studies. | ||||
Address | Research Group PLASMANT, Department of Chemistry, University of Antwerp, Universiteitsplein 1, B-2610 Antwerp, Belgium | ||||
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Publisher | Place of Publication | Editor | |||
Language | English | Wos | 000385172300001 | Publication Date | 2016-10-06 |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.259 | Times cited ![]() |
23 | Open Access | |
Notes | We gratefully acknowledge the grant received from the SRC program of the National Research Foundation of Korea (NRF), funded by the Korean Government (MEST) (No. 20100029418). PA is thankful to FY 2015 Japan Society for the Promotion of Science (JSPS) invitation fellowship. This work was partly supported by MEXT KAKENHI Grant Number 24108009 and JSPS KAKENHI Grant Number JP16H03895. M. Y. gratefully acknowledges financial support from the Research Foundation – Flanders (FWO), grant number 1200216N. The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. | Approved | Most recent IF: 4.259 | ||
Call Number | PLASMANT @ plasmant @ c:irua:135847 | Serial | 4283 | ||
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Author | Satarifard, V.; Mousaei, M.; Hadadi, F.; Dix, J.; Sobrino Fernández, M.; Carbone, P.; Beheshtian, J.; Peeters, F.M.; Neek-Amal, M. | ||||
Title | Reversible structural transition in nanoconfined ice | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 95 | Issue | 95 | Pages | 064105 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The report on square ice sandwiched between two graphene layers by Algara-Siller et al. [Nature (London) 519, 443 (2015)] has generated a large interest in this system. By applying high lateral pressure on nanoconfined water, we found that monolayer ice is transformed to bilayer ice when the two graphene layers are separated by H = 6,7 angstrom. It was also found that three layers of a denser phase of ice with smaller lattice constant are formed if we start from bilayer ice and apply a lateral pressure of about 0.7 GPa with H = 8,9 angstrom. The lattice constant (2.5-2.6 angstrom) in both transitions is found to be smaller than those typical for the known phases of ice and water, i.e., 2.8 angstrom. We validate these results using ab initio calculations and find good agreement between ab initio O-O distance and those obtained from classical molecular dynamics simulations. The reversibility of the mentioned transitions is confirmed by decompressing the systems. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000393943300005 | Publication Date | 2017-02-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9950;2469-9969; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited ![]() |
23 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ lucian @ c:irua:141994 | Serial | 4558 | ||
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Author | Van Laer, K.; Bogaerts, A. | ||||
Title | Influence of Gap Size and Dielectric Constant of the Packing Material on the Plasma Behaviour in a Packed Bed DBD Reactor: A Fluid Modelling Study: Influence of Gap Size and Dielectric Constant… | Type | A1 Journal article | ||
Year | 2017 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
Volume | 14 | Issue | 14 | Pages | 1600129 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A packed bed dielectric barrier discharge (DBD) was studied by means of fluid modelling, to investigate the influence of the dielectric constant of the packing on the plasma characteristics, for two different gap sizes. The electric field strength and electron temperature are much more enhanced in a microgap reactor than in a mm-gap reactor, leading to more current peaks per half-cycle, but also to non-quasineutral plasma. Increasing the dielectric constant enhances the electric field further, but only up to a certain value of dielectric constant, being 9 for a microgap and 100 for a mm-gap reactor. The enhanced electric field results in a higher electron temperature, but also lower electron density. This last one strongly affects the reaction rate. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000403074000010 | Publication Date | 2016-09-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.846 | Times cited ![]() |
23 | Open Access | Not_Open_Access |
Notes | Acknowledgements: This research was carried out in the framework of the network on Physical Chemistry of Plasma- Surface Interactions – Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb.ac.be/), and supported by the Belgian Science Policy Office (BELSPO). K. Van Laer is indebted to the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Flanders) for financial support. The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. | Approved | Most recent IF: 2.846 | ||
Call Number | PLASMANT @ plasmant @ c:irua:142639 | Serial | 4560 | ||
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Author | Drijkoningen, S.; Pobedinskas, P.; Korneychuk, S.; Momot, A.; Balasubramaniam, Y.; Van Bael, M.K.; Turner, S.; Verbeeck, J.; Nesladekt, M.; Haenen, K. | ||||
Title | On the Origin of Diamond Plates Deposited at Low Temperature | Type | A1 Journal article | ||
Year | 2017 | Publication | Crystal growth & design | Abbreviated Journal | Cryst Growth Des |
Volume | 17 | Issue | 8 | Pages | 4306-4314 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The crucial requirement for diamond growth at low temperatures, enabling a wide range of new applications, is a high plasma density at a low gas pressure, which leads to a low thermal load onto sensitive substrate materials. While these conditions are not within reach for resonance cavity plasma systems, linear antenna microwave delivery systems allow the deposition of high quality diamond films at temperatures around 400 degrees C and at pressures below 1 mbar. In this work the codeposition of high quality plates and octahedral diamond grains in nanocrystalline films is reported. In contrast to previous reports claiming the need for high temperatures (T >= 850 degrees C), low temperatures (320 degrees C <= T <= 410 degrees C) were sufficient to deposit diamond plate structures. Cross-sectional high resolution transmission electron microscopy studies show that these plates are faulty cubic diamond terminated by large {111} surface facets with very little sp(2) bonded carbon in the grain boundaries. Raman and electron energy loss spectroscopy studies confirm a high diamond quality, above 93% sp(3) carbon content. Three potential mechanisms, that can account for the initial development of the observed plates rich with stacking faults, and are based on the presence of impurities, are proposed. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000407089600031 | Publication Date | 2017-06-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1528-7483 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.055 | Times cited ![]() |
23 | Open Access | Not_Open_Access |
Notes | ; The Research Foundation – Flanders (FWO) is gratefully acknowledged for financial support in the form of the Postdoctoral Fellowships of P.P. and S.T., contract G.0044.13N “Charge ordering” (S.K., J.V.), the Methusalem “Nano” network, and the Hercules-linear antenna and Raman equipment. ; | Approved | Most recent IF: 4.055 | ||
Call Number | UA @ lucian @ c:irua:145735UA @ admin @ c:irua:145735 | Serial | 4746 | ||
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Author | Cleiren, E.; Heijkers, S.; Ramakers, M.; Bogaerts, A. | ||||
Title | Dry Reforming of Methane in a Gliding Arc Plasmatron: Towards a Better Understanding of the Plasma Chemistry | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemsuschem | Abbreviated Journal | Chemsuschem |
Volume | 10 | Issue | 20 | Pages | 4025-4036 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Dry reforming of methane (DRM) in a gliding arc plasmatron is studied for different CH4 fractions in the mixture. The CO2 and CH4 conversions reach their highest values of approximately 18 and 10%, respectively, at 25% CH4 in the gas mixture, corresponding to an overall energy cost of 10 kJ L@1 (or 2.5 eV per molecule) and an energy efficiency of 66%. CO and H2 are the major products, with the formation of smaller fractions of C2Hx (x=2, 4, or 6) compounds and H2O. A chemical kinetics model is used to investigate the underlying chemical processes. The calculated CO2 and CH4 conversion and the energy efficiency are in good agreement with the experimental data. The model calculations reveal that the reaction of CO2 (mainly at vibrationally excited levels) with H radicals is mainly responsible for the CO2 conversion, especially at higher CH4 fractions in the mixture, which explains why the CO2 conversion increases with increasing CH4 fraction. The main process responsible for CH4 conversion is the reaction with OH radicals. The excellent energy efficiency can be explained by the non-equilibrium character of the plasma, in which the electrons mainly activate the gas molecules, and by the important role of the vibrational kinetics of CO2. The results demonstrate that a gliding arc plasmatron is very promising for DRM. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000413565100012 | Publication Date | 2017-10-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1864-5631 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.226 | Times cited ![]() |
23 | Open Access | OpenAccess |
Notes | Fonds Wetenschappelijk Onderzoek, G.0383.16N ; Federaal Wetenschapsbeleid; | Approved | Most recent IF: 7.226 | ||
Call Number | PLASMANT @ plasmant @c:irua:146665 | Serial | 4759 | ||
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Author | Winckelmans, N.; Altantzis, T.; Grzelczak, M.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Bals, S. | ||||
Title | Multimode Electron Tomography as a Tool to Characterize the Internal Structure and Morphology of Gold Nanoparticles | 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 | 122 | Pages | 13522-13528 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Three dimensional (3D) characterization of structural defects in nanoparticles by transmission electron microscopy is far from straightforward. We propose the use of a dose-efficient approach, so-called multimode tomography, during which tilt series of low and high angle annular dark field scanning transmission electron microscopy projection images are acquired simultaneously. In this manner, not only reliable information can be obtained concerning the shape of the nanoparticles, but also the twin planes can be clearly visualized in 3D. As an example, we demonstrate the application of this approach to identify the position of the seeds with respect to the twinning planes in anisotropic gold nanoparticles synthesized using a seed mediated growth approach. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000437811500036 | Publication Date | 2018-01-16 | |
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 ![]() |
23 | Open Access | OpenAccess |
Notes | S.B. and N.W. acknowledge funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOM. S.B. and T.A. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0369.15N and G.0218.14N) and a postdoctoral research grant to T.A. L.M.L.-M. and M.G. acknowledge funding from the Spanish Ministerio de Economía y Competitividad (grant MAT2013-46101-R). L.M.L.-M. and S.B. acknowledge funding from the European Commission (grant EUSMI 731019). (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:148164UA @ admin @ c:irua:148164 | Serial | 4807 | ||
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Author | Gorbanev, Y.; Verlackt, C.C.W.; Tinck, S.; Tuenter, E.; Foubert, K.; Cos, P.; Bogaerts, A. | ||||
Title | Combining experimental and modelling approaches to study the sources of reactive species induced in water by the COST RF plasma jet | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 20 | Issue | 4 | Pages | 2797-2808 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The vast biomedical potential of cold atmospheric pressure plasmas (CAPs) is governed by the formation of reactive species. These biologically active species are formed upon the interaction of CAPs with the surroundings. In biological milieu, water plays an essential role. The development of biomedical CAPs thus requires understanding of the sources of the reactive species in aqueous media exposed to the plasma. This is especially important in case of the COST RF plasma jet, which is developed as a reference microplasma system. In this work, we investigated the formation of the OH radicals, H atoms and H2O2 in aqueous solutions exposed to the COST plasma jet. This was done by combining experimental and modelling approaches. The liquid phase species were analysed using UV-Vis spectroscopy and spin trapping with hydrogen isotopes and electron paramagnetic resonance (EPR) spectroscopy. The discrimination between the species formed from the liquid phase and the gas phase molecules was performed by EPR and 1H-NMR analyses of the liquid samples. The concentrations of the reactive species in the gas phase plasma were obtained using a zero-dimensional (0D) chemical kinetics computational model. A three-dimensional (3D) fluid dynamics model was developed to provide information on the induced humidity in the plasma effluent. The comparison of the experimentally obtained trends for the formation of the species as a function of the feed gas and effluent humidity with the modelling results suggest that all reactive species detected in our system are mostly formed in the gas phase plasma inside the COST jet, with minor amounts arising from the plasma effluent humidity. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000423505500066 | Publication Date | 2018-01-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.123 | Times cited ![]() |
23 | Open Access | OpenAccess |
Notes | We are grateful to Volker Schulz-von der Gathen (Experimental Physics II: Application Oriented Plasma Physics, Ruhr-Universita¨t Bochum, Germany) for providing the COST RF plasma jet. We thank our colleagues at the University of Antwerp: Gilles Van Loon (Mechanical Workshop), Karen Leyssens (Research group PLASMANT), and Sylvia Dewilde (Department of Biomedical Sciences) for their help with the equipment. This work was funded by the European Marie Sklodowska-Curie Individual Fellowship ‘LTPAM’ within Horizon2020 (grant no. 657304). Stefan Tinck thanks the Fund for Scientific Research – Flanders (FWO) for supporting his work (grant no. 0880.212.840). | Approved | Most recent IF: 4.123 | ||
Call Number | PLASMANT @ plasmant @c:irua:148365 | Serial | 4808 | ||
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Author | Bekaert, J.; Aperis, A.; Partoens, B.; Oppeneer, P.M.; Milošević, M.V. | ||||
Title | Advanced first-principles theory of superconductivity including both lattice vibrations and spin fluctuations : the case of FeB4 | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 97 | Issue | 1 | Pages | 014503 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | <script type='text/javascript'>document.write(unpmarked('We present an advanced method to study spin fluctuations in superconductors quantitatively and entirely from first principles. This method can be generally applied to materials where electron-phonon coupling and spin fluctuations coexist. We employ it here to examine the recently synthesized superconductor iron tetraboride (FeB4) with experimental T-c similar to 2.4 K [H. Gou et al., Phys. Rev. Lett, 111, 157002 (2013)]. We prove that FeB4 is particularly prone to ferromagnetic spin fluctuations due to the presence of iron, resulting in a large Stoner interaction strength, I = 1.5 eV, as calculated from first principles. The other important factor is its Fermi surface that consists of three separate sheets, among which two are nested ellipsoids. The resulting susceptibility has a ferromagnetic peak around q = 0, from which we calculated the repulsive interaction between Cooper pair electrons using the random phase approximation. Subsequently, we combined the electron-phonon interaction calculated from first principles with the spin fluctuation interaction in fully anisotropic Eliashberg theory calculations. We show that the resulting superconducting gap spectrum is conventional, yet very strongly depleted due to coupling to the spin fluctuations. The critical temperature decreases from T-c = 41 K, if they are not taken into account, to T-c = 1.7 K, in good agreement with the experimental value.')); | ||||
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Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
Language | Wos | 000419229100004 | Publication Date | 2018-01-04 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited ![]() |
23 | Open Access | |
Notes | ; This work was supported by TOPBOF-UAntwerp, Research Foundation Flanders (FWO), the Swedish Research Council (VR), and the Rontgen-Angstrom Cluster. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation Flanders (FWO) and the Flemish Government-department EWI. Anisotropic Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ lucian @ c:irua:148447UA @ admin @ c:irua:148447 | Serial | 4866 | ||
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Author | Pimenta, V.; Sathiya, M.; Batuk, D.; Abakumov, A.M.; Giaume, D.; Cassaignon, S.; Larcher, D.; Tarascon, J.-M. | ||||
Title | Synthesis of Li-Rich NMC : a comprehensive study | Type | A1 Journal article | ||
Year | 2017 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 29 | Issue | 23 | Pages | 9923-9936 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | <script type='text/javascript'>document.write(unpmarked('Li-rich NMC are considered nowadays as one of the most promising candidates for high energy density cathodes. One significant challenge is nested in adjusting their synthesis conditions to reach optimum electrochemical performance, but no consensus has been reached yet on the ideal synthesis protocol. Herein, we revisited the elaboration of Li-rich NMC electrodes by focusing on the science involved through each synthesis steps using carbonate Ni0.1625Mn0.675Co0.1625CO3 precursor coprecipitation combined with solid state synthesis. We demonstrated the effect of precursors concentration on the kinetics of the precipitation reaction and provided clues to obtain spherically agglomerated NMC carbonates of different sizes. Moreover, we highlighted the strong impact of the Li2CO3/NMC carbonate ratio on the morphology and particles size of Li-rich NMC and subsequently on their electrochemical performance. Ratio of 1.35 was found to reproducibly give the best performance with namely a first discharge capacity of 269 mAh g(-1) and capacity retention of 89.6% after 100 cycles. We hope that our results, which reveal how particle size, morphology, and phase composition affect the materials electrochemical performance, will help in reconciling literature data while providing valuable fundamental information for up scaling approaches.')); | ||||
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Corporate Author | Thesis | ||||
Publisher | American Chemical Society | Place of Publication | Washington, D.C | Editor | |
Language | Wos | 000418206600010 | Publication Date | 2017-11-08 | |
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 ![]() |
23 | Open Access | Not_Open_Access |
Notes | ; The authors acknowledge the French Research Network on Electrochemical Energy Storage (RS2E). V.P and J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. The authors are thankful to Dr. G. Rousse for the help on Rietveld refinements. ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ lucian @ c:irua:148530 | Serial | 4899 | ||
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Author | Geenen, F.A.; van Stiphout, K.; Nanakoudis, A.; Bals, S.; Vantomme, A.; Jordan-Sweet, J.; Lavoie, C.; Detavernier, C. | ||||
Title | Controlling the formation and stability of ultra-thin nickel silicides : an alloying strategy for preventing agglomeration | Type | A1 Journal article | ||
Year | 2018 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 123 | Issue | 123 | Pages | 075303 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The electrical contact of the source and drain regions in state-of-the-art CMOS transistors is nowadays facilitated through NiSi, which is often alloyed with Pt in order to avoid morphological agglomeration of the silicide film. However, the solid-state reaction between as-deposited Ni and the Si substrate exhibits a peculiar change for as-deposited Ni films thinner than a critical thickness of t(c) = 5 nm. Whereas thicker films form polycrystalline NiSi upon annealing above 450 degrees C, thinner films form epitaxial NiSi2 films that exhibit a high resistance toward agglomeration. For industrial applications, it is therefore of utmost importance to assess the critical thickness with high certainty and find novel methodologies to either increase or decrease its value, depending on the aimed silicide formation. This paper investigates Ni films between 0 and 15 nm initial thickness by use of “thickness gradients,” which provide semi-continuous information on silicide formation and stability as a function of as-deposited layer thickness. The alloying of these Ni layers with 10% Al, Co, Ge, Pd, or Pt renders a significant change in the phase sequence as a function of thickness and dependent on the alloying element. The addition of these ternary impurities therefore changes the critical thickness t(c). The results are discussed in the framework of classical nucleation theory. Published by AIP Publishing. | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000425807400018 | Publication Date | 2018-02-21 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979; 1089-7550 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited ![]() |
23 | Open Access | OpenAccess |
Notes | ; The authors acknowledge the FWO Vlaanderen, the Hercules Foundation, and BOF-UGent (GOA 01G01513) for providing financial support for this work. This research used resources of the National Synchrotron Light Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886. ; | Approved | Most recent IF: 2.068 | ||
Call Number | UA @ lucian @ c:irua:149912UA @ admin @ c:irua:149912 | Serial | 4929 | ||
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Author | Lombardo, J.; Jelić, Ž.L.; Baumans, X.D.A.; Scheerder, J.E.; Nacenta, J.P.; Moshchalkov, V.V.; Van de Vondel, J.; Kramer, R.B.G.; Milošević, M.V.; Silhanek, A.V. | ||||
Title | In situ tailoring of superconducting junctions via electro-annealing | Type | A1 Journal article | ||
Year | 2018 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
Volume | 10 | Issue | 4 | Pages | 1987-1996 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | We demonstrate the in situ engineering of superconducting nanocircuitry by targeted modulation of material properties through high applied current densities. We show that the sequential repetition of such customized electro-annealing in a niobium (Nb) nanoconstriction can broadly tune the superconducting critical temperature T-c and the normal-state resistance R-n in the targeted area. Once a sizable R-n is reached, clear magneto-resistance oscillations are detected along with a Fraunhofer-like field dependence of the critical current, indicating the formation of a weak link but with further adjustable characteristics. Advanced Ginzburg-Landau simulations fully corroborate this picture, employing the detailed parametrization from the electrical characterization and high resolution electron microscope images of the region within the constriction where the material has undergone amorphization by electro-annealing. | ||||
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Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000423355300049 | Publication Date | 2017-12-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2040-3364 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.367 | Times cited ![]() |
23 | Open Access | |
Notes | ; The authors thank the Fonds de la Recherche Scientifique – FNRS, the ARC grant 13/18-08 for Concerted Research Actions, financed by the French Community of Belgium (Wallonia-Brussels Federation), the Research Foundation – Flanders (FWO-Vlaanderen) and the COST action NanoCoHybri (CA16218). The work is also suppported by Methusalem Funding by the Flemish Government. J. Lombardo acknowledges support from F. R. S.-FNRS (FRIA Research Fellowship). The LANEF framework (ANR-10-LABX-51-01) and the Nanoscience Foundation are acknowledged for their support with mutualized infrastructure. The work of A. V. Silhanek is partially supported by PDR T.0106.16 of the F. R. S.-FNRS. The authors thank the ULg Microscopy facility CAREM for part of the SEM investigations. ; | Approved | Most recent IF: 7.367 | ||
Call Number | UA @ lucian @ c:irua:149315UA @ admin @ c:irua:149315 | Serial | 4937 | ||
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Author | Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M. | ||||
Title | Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene | Type | A1 Journal article | ||
Year | 2019 | Publication | 2D materials | Abbreviated Journal | 2D Mater |
Volume | 6 | Issue | 1 | Pages | 015032 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000454321100002 | Publication Date | 2018-11-28 | |
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 ![]() |
23 | Open Access | |
Notes | ; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; | Approved | Most recent IF: 6.937 | ||
Call Number | UA @ admin @ c:irua:156776 | Serial | 5207 | ||
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Author | Mourdikoudis, S.; Montes-Garcia, V.; Rodal-Cedeira, S.; Winckelmans, N.; Perez-Juste, I.; Wu, H.; Bals, S.; Perez-Juste, J.; Pastoriza-Santos, I. | ||||
Title | Highly porous palladium nanodendrites : wet-chemical synthesis, electron tomography and catalytic activity | Type | A1 Journal article | ||
Year | 2019 | Publication | Journal of the Chemical Society : Dalton transactions | Abbreviated Journal | |
Volume | 48 | Issue | 48 | Pages | 3758-3767 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A simple procedure to obtain highly porous hydrophilic palladium nanodendrites in one-step is described. The synthetic strategy is based on the thermal reduction of a Pd precursor in the presence of a positively charged polyelectrolyte such as polyethylenimine (PEI). Advanced electron microscopy techniques combined with X-ray diffraction (XRD), thermogravimetry and BET analysis demonstrate the polycrystalline nature of the nanodendrites as well as their high porosity and active surface area, facilitating a better understanding of their unique morphology. Besides, catalytic studies performed using Raman scattering and UV-Vis spectroscopies revealed that the nanodendrites exhibit a superior performance as recyclable catalysts towards hydrogenation reaction compared to other noble metal nanoparticles. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000461088700027 | Publication Date | 2019-02-18 | |
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Series Volume | Series Issue | Edition | |||
ISSN | 0300-9246; 1477-9226; 1472-7773 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited ![]() |
23 | Open Access | OpenAccess | |
Notes | ; This work was supported by the Ministerio de Economia y Competitividad (MINECO, Spain) under the Grant MAT2016-77809-R, Xunta de Galicia (GRC ED431C 2016-048 and Centro Singular de Investigacion de Galicia (ED431G/02)) and Fundacion Ramon Areces (SERSforSafety). S. M. acknowledges funding from the General Secretariat for Research and Technology in Greece (Project PE4 (1546)). S. B. and N. W. acknowledge financial support by the European Research Council (ERC Starting Grant #335078-COLOURATOMS). We thank the EPSRC CNIE Research Facility (EPSRC Award, EP/K038656/1) at the University College London for the collection of the BET data. Authors thank J. Millos for the XRD measurements. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:158530 | Serial | 5251 | ||
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