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Author Nguten, N.T.T.; Peeters, F.M. url  doi
openurl 
  Title Many-body effects in the cyclotron resonance of a magnetic dot Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue (up) 11 Pages 115335,1-115335,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Intraband cyclotron resonance (CR) transitions of a two-electron quantum dot containing a single magnetic ion is investigated for different Coulomb interaction strengths and different positions of the magnetic ion. In contrast to the usual parabolic quantum dots where CR is independent of the number of electrons, we found here that due to the presence of the magnetic ion Kohn's theorem no longer holds and CR is different for systems with different number of electrons and different effective electron-electron Coulomb interaction strength. Many-body effects result in shifts in the transition energies and change the number of CR lines. The position of the magnetic ion inside the quantum dot affects the structure of the CR spectrum by changing the position and the number of crossings and anticrossings in the transition energies and oscillator strengths.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000270383200110 Publication Date 2009-09-30  
  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 6 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:79228 Serial 1941  
Permanent link to this record
 

 
Author Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. doi  openurl
  Title Molecular dynamics simulations of Cl+ etching on a Si(100) surface Type A1 Journal article
  Year 2010 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 107 Issue (up) 11 Pages 113305,1-113305,6  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000278907100018 Publication Date 2010-06-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 15 Open Access  
  Notes Approved Most recent IF: 2.068; 2010 IF: 2.079  
  Call Number UA @ lucian @ c:irua:82663 Serial 2175  
Permanent link to this record
 

 
Author Hai; Studart; Peeters, F.M. doi  openurl
  Title Multisubband electron-transport in delta-doped semiconductor systems Type A1 Journal article
  Year 1995 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 52 Issue (up) 11 Pages 8363-8371  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electron transport properties in delta-doped semiconductor systems-are studied. The subband electronic structure of the delta-doped system is obtained by solving the coupled Schrodinger and Poisson equations. The screening of the quasi-two-dimensional electron gas is taken into account for the ionized impurity scattering through the matrix dielectric function within the random-phase approximation. The quantum and transport mobilities are calculated numerically as a function of the total electron density and the width of the doped layer at zero temperature. The intersubband scattering and the effect of empty subbands above the Fermi level on the electron mobilities are investigated. The calculated mobilities are in reasonable agreement with the available experimental results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1995RV81800091 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 3.736 Times cited 67 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:95353 Serial 2243  
Permanent link to this record
 

 
Author Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M. doi  openurl
  Title Perturbation of collisional plasma flow around a charged dust particle: kinetic analysis Type A1 Journal article
  Year 2005 Publication Physics of plasmas Abbreviated Journal Phys Plasmas  
  Volume 12 Issue (up) 11 Pages 113501,1-9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Woodbury, N.Y. Editor  
  Language Wos 000233569600046 Publication Date 2005-11-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1070-664X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.115 Times cited 15 Open Access  
  Notes Approved Most recent IF: 2.115; 2005 IF: 2.182  
  Call Number UA @ lucian @ c:irua:56048 Serial 2575  
Permanent link to this record
 

 
Author Yusupov, M.; Bogaerts, A.; Huygh, S.; Snoeckx, R.; van Duin, A.C.T.; Neyts, E.C. pdf  doi
openurl 
  Title Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation 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 (up) 11 Pages 5993-5998  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Nonthermal atmospheric pressure plasmas are gaining increasing attention for biomedical applications. However, very little fundamental information on the interaction mechanisms between the plasma species and biological cells is currently available. We investigate the interaction of important plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, with bacterial peptidoglycan by means of reactive molecular dynamics simulations, aiming for a better understanding of plasma disinfection. Our results show that OH, O, O3, and H2O2 can break structurally important bonds of peptidoglycan (i.e., CO, CN, or CC bonds), which consequently leads to the destruction of the bacterial cell wall. The mechanisms behind these breakups are, however, dependent on the impinging plasma species, and this also determines the effectiveness of the cell wall destruction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000316773000056 Publication Date 2013-02-23  
  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 59 Open Access  
  Notes Approved Most recent IF: 4.536; 2013 IF: 4.835  
  Call Number UA @ lucian @ c:irua:107154 Serial 2636  
Permanent link to this record
 

 
Author Boschker, H.; Verbeeck, J.; Egoavil, R.; Bals, S.; Van Tendeloo, G.; Huijben, M.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G. pdf  doi
openurl 
  Title Preventing the reconstruction of the polar discontinuity at oxide heterointerfaces Type A1 Journal article
  Year 2012 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater  
  Volume 22 Issue (up) 11 Pages 2235-2240  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Perovskite oxide heteroepitaxy receives much attention because of the possibility to combine the diverse functionalities of perovskite oxide building blocks. A general boundary condition for the epitaxy is the presence of polar discontinuities at heterointerfaces. These polar discontinuities result in reconstructions, often creating new functionalities at the interface. However, for a significant number of materials these reconstructions are unwanted as they alter the intrinsic materials properties at the interface. Therefore, a strategy to eliminate this reconstruction of the polar discontinuity at the interfaces is required. We show that the use of compositional interface engineering can prevent the reconstruction at the La0.67Sr0.33MnO3/SrTiO3 (LSMO/STO) interface. The polar discontinuity at this interface can be removed by the insertion of a single La0.33Sr0.67O layer, resulting in improved interface magnetization and electrical conductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000304749600002 Publication Date 2012-03-23  
  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 72 Open Access  
  Notes We wish to acknowledge the financial support of the Dutch Science Foundation (NWO) and the Dutch Nanotechnology program NanoNed. S. B. acknowledges the financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. J. V. and G. V. T. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC grant N246791 – COUNTATOMS. R. E. acknowledges funding by the European Union Council under the 7th Framework Program (FP7) grant NNMP3-LA-2010-246102 IFOX. We thank Sandra Van Aert for stimulating discussions. Approved Most recent IF: 12.124; 2012 IF: 9.765  
  Call Number UA @ lucian @ c:irua:98907UA @ admin @ c:irua:98907 Serial 2712  
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Author Lukyanchuk, I.; Vinokur, V.M.; Rydh, A.; Xie, R.; Milošević, M.V.; Welp, U.; Zach, M.; Xiao, Z.L.; Crabtree, G.W.; Bending, S.J.; Peeters, F.M.; Kwok, W.K. doi  openurl
  Title Rayleigh instability of confined vortex droplets in critical superconductors Type A1 Journal article
  Year 2015 Publication Nature physics Abbreviated Journal Nat Phys  
  Volume 11 Issue (up) 11 Pages 21-25  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Depending on the Ginzburg-Landau parameter kappa, superconductors can either be fully diamagnetic if kappa < 1/root 2 (type I superconductors) or allow magnetic flux to penetrate through Abrikosov vortices if kappa > 1/root 2 (type II superconductors; refs 1,2). At the Bogomolny critical point, kappa = kappa(c) = 1/root 2, a state that is infinitely degenerate with respect to vortex spatial configurations arises(3,4). Despite in-depth investigations of conventional type I and type II superconductors, a thorough understanding of the magnetic behaviour in the near-Bogomolny critical regime at kappa similar to kappa(c) remains lacking. Here we report that in confined systems the critical regime expands over a finite interval of kappa forming a critical superconducting state. We show that in this state, in a sample with dimensions comparable to the vortex core size, vortices merge into a multi-quanta droplet, which undergoes Rayleigh instability(5) on increasing kappa and decays by emitting single vortices. Superconducting vortices realize Nielsen-Olesen singular solutions of the Abelian Higgs model, which is pervasive in phenomena ranging from quantum electrodynamics to cosmology(6-9). Our study of the transient dynamics of Abrikosov-Nielsen-Olesen vortices in systems with boundaries promises access to non-trivial effects in quantum field theory by means of bench-top laboratory experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000346831100018 Publication Date 2014-11-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1745-2473;1745-2481; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 22.806 Times cited 20 Open Access  
  Notes ; We would like to thank N. Nekrasov for illuminating discussions. The work was supported by the US Department of Energy, Office of Science Materials Sciences and Engineering Division (V.M.V., W.K.K., U.W., R.X., M.Z., Z.L.X., G.W.C. and partially I.L. through the Materials Theory Institute), by FP7-IRSES-SIMTECH and ITN-NOTEDEV programs (I.L.), and by the Flemish Science Foundation (FWO-Vlaanderen) (M.V.M. and F.M.P.). ; Approved Most recent IF: 22.806; 2015 IF: 20.147  
  Call Number c:irua:122791 c:irua:122791 Serial 2815  
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Author Papp, G.; Peeters, F.M. url  doi
openurl 
  Title Resistance maps for a submicron Hall electrosensor in the diffusive regime Type A1 Journal article
  Year 2007 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 101 Issue (up) 11 Pages 113717,1-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000247306000084 Publication Date 2007-06-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 7 Open Access  
  Notes Approved Most recent IF: 2.068; 2007 IF: 2.171  
  Call Number UA @ lucian @ c:irua:69645 Serial 2879  
Permanent link to this record
 

 
Author Moldovan, D.; Masir, M.R.; Covaci, L.; Peeters, F.M. pdf  url
doi  openurl
  Title Resonant valley filtering of massive Dirac electrons Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue (up) 11 Pages 115431  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Electrons in graphene, in addition to their spin, have two pseudospin degrees of freedom: sublattice and valley pseudospin. Valleytronics uses the valley degree of freedom as a carrier of information similarly to the way spintronics uses electron spin. We show how a double-barrier structure consisting of electric and vector potentials can be used to filter massive Dirac electrons based on their valley index. We study the resonant transmission through a finite number of barriers and we obtain the energy spectrum of a superlattice consisting of electric and vector potentials. When a mass term is included, the energy bands and energy gaps at the K and K′ points are different and they can be tuned by changing the potential.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309173300004 Publication Date 2012-09-21  
  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 55 Open Access  
  Notes This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro- GRAPHENE within the project CONGRAN, and the Flemish Science Foundation (FWO-Vl). Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:101835 Serial 2896  
Permanent link to this record
 

 
Author Földi, P.; Szaszkó-Bogár, V.; Peeters, F.M. url  doi
openurl 
  Title Spin-orbit interaction controlled properties of two-dimensional superlattices Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue (up) 11 Pages 115302-115302,4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The band structure of two-dimensional artificial superlattices in the presence of (Rashba-type) spin-orbit interaction (SOI) is presented. The position and shape of the energy bands in these spintronic crystals depend on the geometry as well as the strength of the SOI, which can be tuned by external gate voltages. For finite mesoscopic arrays, we show that their conductance properties and possible applications can be understood from these spin-dependent band diagrams.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000281516300005 Publication Date 2010-09-03  
  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 6 Open Access  
  Notes ; We thank M. G. Benedict and F. Bartha for useful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and No. M045596. P.F. was supported by a J. Bolyai grant of the Hungarian Academy of Sciences. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:84259 Serial 3092  
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Author Papp, G.; Borza, S.; Peeters, F.M. doi  openurl
  Title Spin transport in a Mn-doped ZnSe asymmetric tunnel structure Type A1 Journal article
  Year 2005 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 97 Issue (up) 11 Pages 113901-113905  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Spin-dependent tunneling of electrons in a diluted magnetic semiconductor ZnSe/Zn1-xMnxSe/Zn1-yMnySe/ZnSe/Zn1-xMnxSe/ZnSe heterostructure is investigated theoretically in the presence of parallel magnetic and electric fields, but our modeling is appropriate for any dilute magnetic II-VI semiconductor system. In the studied asymmetric system the transmission of electrons and the degree of spin polarization depend on the strength of the magnetic and electric fields and on the direction of the applied bias. For suitable magnetic fields, the output current of the system exhibits a nearly 100% spin polarization and the device can be used as a spin filter. (C) 2005 American Institute of Physics.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000229804700072 Publication Date 2005-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 26 Open Access  
  Notes Approved Most recent IF: 2.068; 2005 IF: 2.498  
  Call Number UA @ lucian @ c:irua:102728 Serial 3102  
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Author Wang, Y.; Belén Serrano, A.; Sentosun, K.; Bals, S.; Liz-Marzán, L.M. pdf  url
doi  openurl
  Title Stabilization and encapsulation of gold nanostars mediated by dithiols Type A1 Journal article
  Year 2015 Publication Small Abbreviated Journal Small  
  Volume 11 Issue (up) 11 Pages 4314-4320  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Surface chemistry plays a pivotal role in regulating the morphology of nanoparticles, maintaining colloidal stability, and mediating the interaction with target analytes toward practical applications such as surface-enhanced Raman scattering (SERS)-based sensing and imaging. The use of a binary ligand mixture composed of 1,4-benzenedithiol (BDT) and hexadecyltrimethylammonium chloride (CTAC) to provide gold nanostars with long-term stability is reported. This is despite BDT being a bifunctional ligand, which usually leads to bridging and loss of colloidal stability. It is found however that neither BDT nor CTAC alone are able to provide sufficient colloidal and chemical stability. BDT-coated Au nanostars are additionally used as seeds to direct the encapsulation with a gold outer shell, leading to the formation of unusual nanostructures including semishell-coated gold nanostars, which are characterized by high-resolution electron microscopy and electron tomography. Finally, BDT is exploited as a probe to reveal the enhanced local electric fields in the different nanostructures, showing that the semishell configuration provides significantly high SERS signals as compared to other coreshell configurations obtained during seeded growth, including full shells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000360852900009 Publication Date 2015-06-02  
  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 36 Open Access OpenAccess  
  Notes 267867 Plasmaquo; 335078 Colouratom; 262348 Esmi; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 8.643; 2015 IF: 8.368  
  Call Number c:irua:127571 Serial 3136  
Permanent link to this record
 

 
Author Avetisyan, A.A.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Stacking order dependent electric field tuning of the band gap in graphene multilayers Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 81 Issue (up) 11 Pages 115432,1-115432,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of different stacking order of graphene multilayers on the electric field induced band gap is investigated. We considered a positively charged top and a negatively charged back gate in order to independently tune the band gap and the Fermi energy of three and four layer graphene systems. A tight-binding approach within a self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We found that the gap for trilayer graphene with the ABC stacking is much larger than the corresponding gap for the ABA trilayer. Also we predict that for four layers of graphene the energy gap strongly depends on the choice of stacking, and we found that the gap for the different types of stacking is much larger as compared to the case of Bernal stacking. Trigonal warping changes the size of the induced electronic gap by approximately 30% for intermediate and large values of the induced electron density.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000276248800145 Publication Date 2010-03-19  
  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 142 Open Access  
  Notes ; ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:82274 Serial 3148  
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Author Szafran, B.; Peeters, F.M.; Bednarek, S. url  doi
openurl 
  Title Stark effect on the exciton spectra of vertically coupled quantum dots: horizontal field orientation and nonaligned dots Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 75 Issue (up) 11 Pages 115303,1-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000245329600070 Publication Date 2007-03-03  
  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 Approved Most recent IF: 3.836; 2007 IF: 3.172  
  Call Number UA @ lucian @ c:irua:64292 Serial 3149  
Permanent link to this record
 

 
Author Krsmanovic, R.; Lebedev, O.I.; Speghini, A.; Bettinelli, M.; Polizzi, S.; Van Tendeloo, G. pdf  doi
openurl 
  Title Structural characterization and luminescence properties of nanostructured lanthanide-doped Sc2O3 prepared by propellant synthesis Type A1 Journal article
  Year 2006 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 17 Issue (up) 11 Pages 2805-2812  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000238250300038 Publication Date 2006-05-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 22 Open Access  
  Notes IAP5-01; PRIN/Cofin Approved Most recent IF: 3.44; 2006 IF: 3.037  
  Call Number UA @ lucian @ c:irua:60046 Serial 3217  
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Author Roditchev, D.; Brun, C.; Serrier-Garcia, L.; Cuevas, J.C.; Bessa, V.H.L.; Milošević, M.V.; Debontridder, F.; Stolyarov, V.; Cren, T. doi  openurl
  Title Direct observation of Josephson vortex cores Type A1 Journal article
  Year 2015 Publication Nature physics Abbreviated Journal Nat Phys  
  Volume 11 Issue (up) 11 Pages 332-337  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Superconducting correlations may propagate between two superconductors separated by a tiny insulating or metallic barrier, allowing a dissipationless electric current to flow(1,2). In the presence of a magnetic field, the maximum supercurrent oscillates(3) and each oscillation corresponding to the entry of one Josephson vortex into the barrier(4). Josephson vortices are conceptual blocks of advanced quantum devices such as coherent terahertz generators(5) or qubits for quantum computing(6), in which on-demand generation and control is crucial. Here, we map superconducting correlations inside proximity Josephson junctions(7) using scanning tunnelling microscopy. Unexpectedly, we find that such Josephson vortices have real cores, in which the proximity gap is locally suppressed and the normal state recovered. By following the Josephson vortex formation and evolution we demonstrate that they originate from quantum interference of Andreev quasiparticles(8), and that the phase portraits of the two superconducting quantum condensates at edges of the junction decide their generation, shape, spatial extent and arrangement. Our observation opens a pathway towards the generation and control of Josephson vortices by applying supercurrents through the superconducting leads of the junctions, that is, by purely electrical means without any need for a magnetic field, which is a crucial step towards high-density on-chip integration of superconducting quantum devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000352163100016 Publication Date 2015-02-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1745-2473;1745-2481; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 22.806 Times cited 102 Open Access  
  Notes T.C., C.B., F.D., V.S. and D.R. acknowledge financial support from the French ANR project and the French-Russian program PICS-CNRS/RAS. The authors also thank V. Cherkez for assistance during experiments and V. Vinokur (Argonne National Laboratory, Illinois USA) and A. Buzdin (University of Bordeaux 1, France) for stimulating discussions. J.C.C. acknowledges financial support from the Spanish MICINN (Contract No. FIS2011-28851-C1). V.H.L.B. acknowledges support from CNPq Brazil and productive discussions with Prof. A. Chaves (UFC, Brazil). M.V.M. acknowledges support from Research Foundation Flanders (FWO-Vlaanderen) and CAPES Brazil (PVE project BEX1392/11-5). Approved Most recent IF: 22.806; 2015 IF: 20.147  
  Call Number c:irua:132524 c:irua:132524 Serial 3943  
Permanent link to this record
 

 
Author Sree, S.P.; Dendooven, J.; Masschaele, K.; Hamed, H.M.; Deng, S.; Bals, S.; Detavernier, C.; Martens, J.A. pdf  doi
openurl 
  Title Synthesis of uniformly dispersed anatase nanoparticles inside mesoporous silica thin films via controlled breakup and crystallization of amorphous TiO2 deposited using atomic layer deposition Type A1 Journal article
  Year 2013 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 5 Issue (up) 11 Pages 5001-5008  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Amorphous titanium dioxide was introduced into the pores of mesoporous silica thin films with 75% porosity and 12 nm average pore diameter via Atomic Layer Deposition (ALD) using alternating pulses of tetrakis(dimethylamino)titanium and water. Calcination provoked fragmentation of the deposited amorphous TiO2 phase and its crystallization into anatase nanoparticles inside the nanoporous film. The narrow particle size distribution of 4 ± 2 nm and the uniform dispersion of the particles over the mesoporous silica support were uniquely revealed using electron tomography. These anatase nanoparticle bearing films showed photocatalytic activity in methylene blue degradation. This new synthesis procedure of the anatase nanophase in mesoporous silica films using ALD is a convenient fabrication method of photocatalytic coatings amenable to application on very small as well as very large surfaces  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000319008700056 Publication Date 2013-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 22 Open Access  
  Notes Fwo; Iap-Pai; Erc Approved Most recent IF: 7.367; 2013 IF: 6.739  
  Call Number UA @ lucian @ c:irua:108774 Serial 3460  
Permanent link to this record
 

 
Author Hao, Y.L.; Djotyan, A.P.; Avetisyan, A.A.; Peeters, F.M. doi  openurl
  Title D- shallow donor near a semiconductor-metal and a semiconductor-dielectric interface Type A1 Journal article
  Year 2011 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 23 Issue (up) 11 Pages 115303,1-115313,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The ground state energy and the extent of the wavefunction of a negatively charged donor (D − ) located near a semiconductormetal or a semiconductordielectric interface are obtained. We apply the effective mass approximation and use a variational two-electron wavefunction that takes into account the influence of all image charges that arise due to the presence of the interface, as well as the correlation between the two electrons bound to the donor. For a semiconductormetal interface, the D − binding energy is enhanced for donor positions d > 1.5aB (aB is the effective Bohr radius) due to the additional attraction of the electrons with their images. When the donor approaches the interface (i.e. d < 1.5aB) the D − binding energy drops and eventually it becomes unbound. For a semiconductordielectric (or a semiconductorvacuum) interface the D − binding energy is reduced for any donor position as compared to the bulk case and the system becomes rapidly unbound when the donor approaches the interface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000287969200013 Publication Date 2011-03-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 5 Open Access  
  Notes ; This work was supported by the Belgian Science Policy (IAP) and the Brazilian Science Foundation CNPq. One of us (AAA) was supported by a fellowship from the Belgian Federal Science Policy Office (IAP). ; Approved Most recent IF: 2.649; 2011 IF: 2.546  
  Call Number UA @ lucian @ c:irua:88828 Serial 3528  
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Author Govorov, V.A.; Abakumov, A.M.; Rozova, M.G.; Borzenko, A.G.; Vassiliev, S.Y.; Mazin, V.M.; Afanasov, M.I.; Fabritchnyi, P.B.; Tsirlina, G.A.; Antipov, E.V.; Morozova, E.N.; Gippius, A.A.; Ivanov, V.V.; Van Tendeloo, G. pdf  doi
openurl 
  Title Sn2-2xSbxFexO4 solid solutions as possible inert anode materials in aluminum electrolysis Type A1 Journal article
  Year 2005 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 17 Issue (up) 11 Pages 3004-3011  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000229656000030 Publication Date 2005-05-24  
  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 11 Open Access  
  Notes Approved Most recent IF: 9.466; 2005 IF: 4.818  
  Call Number UA @ lucian @ c:irua:59053 Serial 3554  
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Author Tafuri, F.; Carillo, F.; Lombardi, F.; Granozio, F.M.; dii Uccio, U.S.; Testa, G.; Sarnelli, E.; Verbist, K.; Van Tendeloo, G. pdf  doi
openurl 
  Title YBa2Cu3O7-x Josephson junctions and dc SQUIDs based on 45\text{\textdegree} a-axis tilt and twist grain boundaries : atomically clean interfaces for applications Type A1 Journal article
  Year 1999 Publication Superconductor science and technology T2 – International Superconductive Electronics Conference, JUN 21-25, 1999, BERKELEY, CALIFORNIA Abbreviated Journal Supercond Sci Tech  
  Volume 12 Issue (up) 11 Pages 1007-1009  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract YBa2Cu3O7-x artificial grain boundary Josephson junctions have been fabricated, employing a recently implemented biepitaxial technique. The grain boundaries can be obtained by controlling the orientation of the MgO seed layer and are characterized by a misalignment of the c-axes (45 degrees a-axis tilt or 45 degrees a-axis twist). These types of grain boundaries are still mostly unexplored. We carried out a complete characterization of their transport properties and microstructure. Junctions and de SQUIDs associated with these grain boundaries exhibit an excellent Josephson phenomenology and high values of the ICRN product and of the magnetic flux-to-voltage transfer parameter respectively. Remarkable differences in the transport parameters of tilt and twist junctions have been observed, which can be of interest for several applications. A maximum speed of Josephson vortices as calculated from the voltage step values of the order of 2 x 10(6) m s(-1) is obtained. These devices could also have some impact on experiments designed to study the symmetry of the order parameter, exploiting their microstructure and anisotropic properties. High-resolution electron microscopy showed the presence of perfect basal plane faced boundaries in the cross sections of tilt boundaries.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000083948400093 Publication Date 2002-08-25  
  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 3 Open Access  
  Notes Approved Most recent IF: 2.878; 1999 IF: 1.728  
  Call Number UA @ lucian @ c:irua:102896 Serial 3565  
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Author Wang, B.; Idrissi, H.; Shi, H.; Colla, M.S.; Michotte, S.; Raskin, J.P.; Pardoen, T.; Schryvers, D. pdf  doi
openurl 
  Title Texture-dependent twin formation in nanocrystalline thin Pd films Type A1 Journal article
  Year 2012 Publication Scripta materialia Abbreviated Journal Scripta Mater  
  Volume 66 Issue (up) 11 Pages 866-871  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Nanocrystalline Pd films were produced by electron-beam evaporation and sputter deposition. The electron-beam-evaporated films reveal randomly oriented nanograins with a relatively high density of growth twins, unexpected in view of the high stacking fault energy of Pd. In contrast, sputter-deposited films show a clear 〈1 1 1〉 crystallographic textured nanostructure without twins. These results provide insightful information to guide the generation of microstructures with enhanced strength/ductility balance in high stacking fault energy nanocrystalline metallic thin films.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000303621900007 Publication Date 2012-01-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6462; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.747 Times cited 19 Open Access  
  Notes Iap; Fwo Approved Most recent IF: 3.747; 2012 IF: 2.821  
  Call Number UA @ lucian @ c:irua:96955 Serial 3566  
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Author Li, B.; Peeters, F.M. url  doi
openurl 
  Title Tunable optical Aharonov-Bohm effect in a semiconductor quantum ring Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 83 Issue (up) 11 Pages 115448-115448,13  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By applying an electric field perpendicular to a semiconductor quantum ring we show that it is possible to modify the single particle wave function between quantum dot (QD)-like and ring-like. The constraints on the geometrical parameters of the quantum ring to realize such a transition are derived. With such a perpendicular electric field we are able to tune the Aharanov-Bohm (AB) effect for both the single particle and for excitons. The tunability is in both the strength of the AB effect as well as in its periodicity. We also investigate the strain induce potential inside the self-assembled quantum ring and the effect of the strain on the AB effect.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000288855200012 Publication Date 2011-03-28  
  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 25 Open Access  
  Notes ; This work was supported by the EU-NoE: SANDiE, the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles, Belgium State, Belgium Science Policy, and IMEC, vzw collaborative project. We are grateful to Prof. M. Tadic and Dr. Fei Ding for stimulating discussions. ; Approved Most recent IF: 3.836; 2011 IF: 3.691  
  Call Number UA @ lucian @ c:irua:89376 Serial 3744  
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Author Dendooven, J.; Goris, B.; Devloo-Casier, K.; Levrau, E.; Biermans, E.; Baklanov, M.R.; Ludwig, K.F.; van der Voort, P.; Bals, S.; Detavernier, C. pdf  doi
openurl 
  Title Tuning the pore size of ink-bottle mesopores by atomic layer deposition Type A1 Journal article
  Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 24 Issue (up) 11 Pages 1992-1994  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000305092600002 Publication Date 2012-05-03  
  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 52 Open Access  
  Notes Fwo Approved Most recent IF: 9.466; 2012 IF: 8.238  
  Call Number UA @ lucian @ c:irua:99078 Serial 3760  
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Author Talgorn, E.; Gao, Y.; Aerts, M.; Kunneman, L.T.; Schins, J.M.; Savenije, T.J.; van Huis, M.A.; van der Zant, H.S.J.; Houtepen, A.J.; Siebbeles, L.D.A. doi  openurl
  Title Unity quantum yield of photogenerated charges and band-like transport in quantum-dot solids Type A1 Journal article
  Year 2011 Publication Nature nanotechnology Abbreviated Journal Nat Nanotechnol  
  Volume 6 Issue (up) 11 Pages 733-739  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Solid films of colloidal quantum dots show promise in the manufacture of photodetectors and solar cells. These devices require high yields of photogenerated charges and high carrier mobilities, which are difficult to achieve in quantum-dot films owing to a strong electronhole interaction and quantum confinement. Here, we show that the quantum yield of photogenerated charges in strongly coupled PbSe quantum-dot films is unity over a large temperature range. At high photoexcitation density, a transition takes place from hopping between localized states to band-like transport. These strongly coupled quantum-dot films have electrical properties that approach those of crystalline bulk semiconductors, while retaining the size tunability and cheap processing properties of colloidal quantum dots.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000296737300012 Publication Date 2011-09-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1748-3387;1748-3395; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 38.986 Times cited 129 Open Access  
  Notes Approved Most recent IF: 38.986; 2011 IF: 27.270  
  Call Number UA @ lucian @ c:irua:93296 Serial 3813  
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Author Abakumov, M.A.; Nukolova, N.V.; Sokolsky-Papkov, M.; Shein, S.A.; Sandalova, T.O.; Vishwasrao, H.M.; Grinenko, N.F.; Gubsky, I.L.; Abakumov, A.M.; Kabanov, A.V.; Chekhonin, V.P.; pdf  url
doi  openurl
  Title VEGF-targeted magnetic nanoparticles for MRI visualization of brain tumor Type A1 Journal article
  Year 2015 Publication Nanomedicine: nanotechnology, biology and medicine Abbreviated Journal Nanomed-Nanotechnol  
  Volume 11 Issue (up) 11 Pages 825-833  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract This work is focused on synthesis and characterization of targeted magnetic nanoparticles as magnetic resonance imaging (MRI) agents for in vivo visualization of gliomas. Ferric oxide (Fe3O4) cores were synthesized by thermal decomposition and coated with bovine serum albumin (BSA) to form nanoparticles with D-eff of 53 +/- 9 nm. The BSA was further cross-linked to improve colloidal stability. Monoclonal antibodies against vascular endothelial growth factor (mAbVEGF) were covalently conjugated to BSA through a polyethyleneglycol linker. Here we demonstrate that 1) BSA coated nanoparticles are stable and non-toxic to different cells at concentration up to 2.5 mg/mL; 2) conjugation of monoclonal antibodies to nanoparticles promotes their binding to VEGF-positive glioma C6 cells in vitro; 3) targeted nanoparticles are effective in MRI visualization of the intracranial glioma. Thus, mAbVEGF-targeted BSA-coated magnetic nanoparticles are promising MRI contrast agents for glioma visualization. (C) 2015 Elsevier Inc. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication S.l. Editor  
  Language Wos 000354559600004 Publication Date 2015-01-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1549-9634; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.72 Times cited 62 Open Access  
  Notes Approved Most recent IF: 5.72; 2015 IF: 6.155  
  Call Number c:irua:126351 Serial 3838  
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Author da Costa, D.R.; Chaves, A.; Farias, G.A.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Wave-packet scattering on graphene edges in the presence of a pseudomagnetic field Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue (up) 11 Pages 115434  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The scattering of a Gaussian wave packet in armchair and zigzag graphene edges is theoretically investigated by numerically solving the time-dependent Schrodinger equation for the tight-binding model Hamiltonian. Our theory allows us to investigate scattering in reciprocal space, and depending on the type of graphene edge we observe scattering within the same valley, or between different valleys. In the presence of an external magnetic field, the well-known skipping orbits are observed. However, our results demonstrate that in the case of a pseudomagnetic field, induced by nonuniform strain, the scattering by an armchair edge results in a nonpropagating edge state.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309174100005 Publication Date 2012-09-21  
  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 28 Open Access  
  Notes ; Discussions with E. B. Barros are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq), the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE (project CONGRAN), and the bilateral program between Flanders and Brazil. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:101833 Serial 3907  
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Author Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G. pdf  doi
openurl 
  Title ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications Type A1 Journal article
  Year 2010 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem  
  Volume 11 Issue (up) 11 Pages 2337-2340  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Switch of the surface properties: Supported ZnO nanorod arrays with tailored roughness and aspect ratios are successfully synthesized by plasma-enhanced chemical vapor deposition. Such nanostructures exhibit significant superhydrophilic and photocatalytic properties tunable as a function of their morphological organization (see picture). This renders them promising building blocks for the fabrication of stimuli-responsive materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000281061500008 Publication Date 2010-06-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1439-4235;1439-7641; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.075 Times cited 38 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 3.075; 2010 IF: 3.340  
  Call Number UA @ lucian @ c:irua:84594 Serial 3935  
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Author Bal, K.M.; Neyts, E.C. pdf  url
doi  openurl
  Title Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds Type A1 Journal article
  Year 2015 Publication Journal of chemical theory and computation Abbreviated Journal J Chem Theory Comput  
  Volume 11 Issue (up) 11 Pages 4545-4554  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The hyperdynamics method is a powerful tool to simulate slow processes at the atomic level. However, the construction of an optimal hyperdynamics potential is a task that is far from trivial. Here, we propose a generally applicable implementation of the hyperdynamics algorithm, borrowing two concepts from metadynamics. First, the use of a collective variable (CV) to represent the accelerated dynamics gives the method a very large flexibility and simplicity. Second, a metadynamics procedure can be used to construct a suitable history-dependent bias potential on-the-fly, effectively turning the algorithm into a self-learning accelerated molecular dynamics method. This collective variable-driven hyperdynamics (CVHD) method has a modular design: both the local system properties on which the bias is based, as well as the characteristics of the biasing method itself, can be chosen to match the needs of the considered system. As a result, system-specific details are abstracted from the biasing algorithm itself, making it extremely versatile and transparent. The method is tested on three model systems: diffusion on the Cu(001) surface and nickel-catalyzed methane decomposition, as examples of reactive processes with a bond-length-based CV, and the folding of a long polymer-like chain, using a set of dihedral angles as a CV. Boost factors up to 109, corresponding to a time scale of seconds, could be obtained while still accurately reproducing correct dynamics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362921700004 Publication Date 2015-09-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1549-9618 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.245 Times cited 41 Open Access  
  Notes K.M.B. is funded as Ph.D. fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant No. 11 V8915N. 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), funded by the Hercules Foundation and the Flemish Government−Department EWI. Approved Most recent IF: 5.245; 2015 IF: 5.498  
  Call Number c:irua:128183 Serial 3991  
Permanent link to this record
 

 
Author Zhang, L.; Lin, B.-C.; Wu, Y.-F.; Wu, H.; Huang, T.-W.; Chang, C.-R.; Ke, X.; Kurttepeli, M.; Tendeloo, G.V.; Xu, J.; Yu, D.; Liao, Z.-M. url  doi
openurl 
  Title Electronic Coupling between Graphene and Topological Insulator Induced Anomalous Magnetotransport Properties Type A1 Journal article
  Year 2017 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 11 Issue (up) 11 Pages 6277-6285  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract It has been theoretically proposed that the spin textures of surface states in a topological insulator can be directly transferred to graphene by means of the proximity effect, which is very important for realizing the two-dimensional topological insulator based on graphene. Here we report the anomalous magnetotransport properties of graphene-topological insulator Bi2Se3 heterojunctions, which are sensitive to the electronic coupling between graphene and the topological surface state. The coupling between the p_z orbitals of graphene and the p orbitals of the surface states on the Bi2Se3 bottom surface can be enhanced by applying a perpendicular negative magnetic field, resulting in a giant negative magnetoresistance at the Dirac point up to about -91%. Obvious resistances dip in the transfer curve at the Dirac point is also observed in the hybrid devices, which is consistent with theoretical predictions of the distorted Dirac bands with nontrivial spin textures inherited from the Bi2Se3 surface states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000404808000110 Publication Date 2017-05-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 12 Open Access OpenAccess  
  Notes ; This work was supported by National Key Research and Development Program of China (Nos. 2016YFA0300802, 2013CB934600) and NSFC (No. 11234001). ; Approved Most recent IF: 13.942  
  Call Number EMAT @ emat @ c:irua:143192 Serial 4569  
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Author Çakir, D.; Otalvaro, D.M.; Brocks, G. url  doi
openurl 
  Title From spin-polarized interfaces to giant magnetoresistance in organic spin valves Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 89 Issue (up) 11 Pages 115407  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We calculate the spin-polarized electronic transport through a molecular bilayer spin valve from first principles, and establish the link between the magnetoresistance and the spin-dependent interactions at the metal-molecule interfaces. The magnetoresistance of a Fe vertical bar bilayer-C-70 vertical bar Fe spin valve attains a high value of 70% in the linearresponse regime, but it drops sharply as a function of the applied bias. The current polarization has a value of 80% in linear response and also decreases as a function of bias. Both these trends can be modeled in terms of prominent spin-dependent Fe vertical bar C-70 interface states close to the Fermi level, unfolding the potential of spinterface science to control and optimize spin currents.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000332504900007 Publication Date 2014-03-10  
  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 14 Open Access  
  Notes ; ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:128321 Serial 4596  
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