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Author Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. pdf  doi
openurl 
  Title MXenes/graphene heterostructures for Li battery applications : a first principles study Type A1 Journal article
  Year 2018 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 6 Issue 5 Pages 2337-2345  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Cambridge Editor  
  Language Wos 000423981200049 Publication Date 2018-01-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 131 Open Access  
  Notes ; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ; Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265 Serial 4945  
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Author Kong, X.; Li, L.; Leenaerts, O.; Wang, W.; Liu, X.-J.; Peeters, F.M. url  doi
openurl 
  Title Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number Type A1 Journal article
  Year 2018 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 10 Issue 17 Pages 8153-8161  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin-orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Cambridge Editor  
  Language Wos 000432261400033 Publication Date 2018-03-28  
  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 28 Open Access  
  Notes ; This work was supported by the Ministry of Science and Technology of China (MOST) (Grant No. 2016YFA0301604), the National Natural Science Foundation of China (NSFC) (No. 11574008), the Thousand-Young-Talent Program of China, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS 2D TMD. 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, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. W. Wang acknowledges financial support from the National Natural Science Foundation of China (Grant No. 11404214) and the China Scholarship Council (CSC). ; Approved Most recent IF: 7.367  
  Call Number UA @ lucian @ c:irua:151519UA @ admin @ c:irua:151519 Serial 5040  
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Author Varykhalov, A.; Marchenko, D.; Sanchez-Barriga, J.; Scholz, M.R.; Verberck, B.; Trauzettel, B.; Wehling, T.O.; Carbone, C.; Rader, O. url  doi
openurl 
  Title Intact dirac cones at broken sublattice symmetry : photoemission study of graphene on Ni and Co Type A1 Journal article
  Year 2012 Publication Physical review X Abbreviated Journal Phys Rev X  
  Volume 2 Issue 4 Pages 041017-10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The appearance of massless Dirac fermions in graphene requires two equivalent carbon sublattices of trigonal shape. While the generation of an effective mass and a band gap at the Dirac point remains an unresolved problem for freestanding extended graphene, it is well established by breaking translational symmetry by confinement and by breaking sublattice symmetry by interaction with a substrate. One of the strongest sublattice-symmetry-breaking interactions with predicted and measured band gaps ranging from 400 meV to more than 3 eV has been attributed to the interfaces of graphene with Ni and Co, which are also promising spin-filter interfaces. Here, we apply angle-resolved photoemission to epitaxial graphene on Ni (111) and Co(0001) to show the presence of intact Dirac cones 2.8 eV below the Fermi level. Our results challenge the common belief that the breaking of sublattice symmetry by a substrate and the opening of the band gap at the Dirac energy are in a straightforward relation. A simple effective model of a biased bilayer structure composed of graphene and a sublattice-symmetry-broken layer, corroborated by density-functional-theory calculations, demonstrates the general validity of our conclusions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) College Park, Md Editor  
  Language Wos 000312703200001 Publication Date 2012-12-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2160-3308; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.789 Times cited 86 Open Access  
  Notes ; A. V. acknowledges helpful discussions with N. Sandler. This work was supported by SPP 1459 of the Deutsche Forschungsgemeinschaft. B. V. acknowledges support from the Research Foundation Flanders (FWO-Vlaanderen). B. T. and T. O. W. would like to thank the KITP at Santa Barbara for hospitality during the completion of this work. ; Approved Most recent IF: 12.789; 2012 IF: 6.711  
  Call Number UA @ lucian @ c:irua:105964 Serial 1677  
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Author De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B. url  doi
openurl 
  Title Resistivity scaling model for metals with conduction band anisotropy Type A1 Journal article
  Year 2018 Publication Physical review materials Abbreviated Journal  
  Volume 2 Issue 3 Pages 033801  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication (up) College Park, Md Editor  
  Language Wos 000426787600001 Publication Date 2018-03-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes ; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866 Serial 4947  
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Author Andelkovic, M.; Covaci, L.; Peeters, F.M. doi  openurl
  Title DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder Type A1 Journal article
  Year 2018 Publication Physical review materials Abbreviated Journal  
  Volume 2 Issue 3 Pages 034004  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication (up) College Park, Md Editor  
  Language Wos 000427822700002 Publication Date 2018-03-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 27 Open Access  
  Notes ; We acknowledge financial support from the graphene FLAG-ERA project TRANS2DTMD. ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:150838UA @ admin @ c:irua:150838 Serial 4964  
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Author Kalashami, H.G.; Neek-Amal, M.; Peeters, F.M. doi  openurl
  Title Slippage dynamics of confined water in graphene oxide capillaries Type A1 Journal article
  Year 2018 Publication Physical review materials Abbreviated Journal  
  Volume 2 Issue 7 Pages 074004  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The permeation of water between neighboring graphene oxide (GO) flakes, i.e., 2D nanochannels, are investigated using a simple model for the GO membrane. We simulate the hydrophilic behavior of nanocapillaries and study the effect of surface charge on the dynamical properties of water flow and the influence of Na+ and Cl- ions on water permeation. Our approach is based on extensive equilibrium molecular dynamics simulations to obtain a better understanding of water permeation through charged nanochannels in the presence of ions. We found significant change in the slippage dynamics of confined water such as a profound increase in viscosity/slip length with increasing charges over the surface. The slip length decreases one order of magnitude (i.e., 1/30) with increasing density of surface charge, while it increases by a factor of 2 with ion concentration. We found that commensurability induced by nanoconfinement plays an important role on the intrinsic dynamical properties of water.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication (up) College Park, Md Editor  
  Language Wos 000439435200006 Publication Date 2018-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes ; We acknowledge fruitful discussions with Andre K. Geim, Irina Grigorieva, and Rahul R. Nair. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:152409UA @ admin @ c:irua:152409 Serial 5128  
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Author Van der Donck, M.; Peeters, F.M.; Van Duppen, B. url  doi
openurl 
  Title Comment on “Creating in-plane pseudomagnetic fields in excess of 1000 T by misoriented stacking in a graphene bilayer” Type Editorial
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 247401  
  Keywords Editorial; Condensed Matter Theory (CMT)  
  Abstract In a recent paper [Phys. Rev. B 89, 125418 (2014)], the authors argue that it is possible to map the electronic properties of twisted bilayer graphene to those of bilayer graphene in an in-plane magnetic field. However, their description of the low-energy dynamics of twisted bilayer graphene is restricted to the extended zone scheme and therefore neglects the effects of the superperiodic structure. If the energy spectrum is studied in the supercell Brillouin zone, we find that the comparison with an in-plane magnetic field fails because (i) the energy spectra of the two situations exhibit different symmetries and (ii) the low-energy spectra are very different.  
  Address  
  Corporate Author Thesis  
  Publisher Amer physical soc Place of Publication (up) College pk Editor  
  Language Wos 000377802200009 Publication Date 2016-06-14  
  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 6 Open Access  
  Notes ; ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:134601 Serial 4151  
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Author Van Pottelberge, R.; Zarenia, M.; Peeters, F.M. url  doi
openurl 
  Title Comment on “Impurity spectra of graphene under electric and magnetic fields” Type Editorial
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 97 Issue 20 Pages 207403  
  Keywords Editorial; Condensed Matter Theory (CMT)  
  Abstract In a recent paper [Phys. Rev. B 89, 155403 (2014)], the authors investigated the spectrum of a Coulomb impurity in graphene in the presence of magnetic and electric fields using the coupled series expansion approach. In the first part of their paper, they investigated how Coulomb impurity states collapse in the presence of a perpendicular magnetic field. We argue that the obtained spectrum does not give information about the atomic collapse and that their interpretation of the spectrum regarding atomic collapse is not correct. We also argue that the obtained results are only valid up to the dimensionless charge vertical bar alpha vertical bar = 0.5 and, to obtain correct results for alpha > 0.5, a proper regularization of the Coulomb interaction is required. Here we present the correct numerical results for the spectrum for arbitrary values of alpha.  
  Address  
  Corporate Author Thesis  
  Publisher Amer physical soc Place of Publication (up) College pk Editor  
  Language Wos 000433288800015 Publication Date 2018-05-29  
  Series Editor Series Title Abbreviated Series Title  
  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 5 Open Access  
  Notes ; We thank Matthias Van der Donck for fruitful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem funding of the Flemish Government. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:152042UA @ admin @ c:irua:152042 Serial 5017  
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Author Zhang, S.; Sahin, H.; Torun, E.; Peeters, F.; Martien, D.; DaPron, T.; Dilley, N.; Newman, N. pdf  doi
openurl 
  Title Fundamental mechanisms responsible for the temperature coefficient of resonant frequency in microwave dielectric ceramics Type A1 Journal article
  Year 2017 Publication Journal of the American Ceramic Society Abbreviated Journal J Am Ceram Soc  
  Volume 100 Issue 100 Pages 1508-1516  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The temperature coefficient of resonant frequency ((f)) of a microwave resonator is determined by three materials parameters according to the following equation: (f)=-(1/2 (epsilon) + 1/2 + (L)), where (L), (epsilon), and are defined as the linear temperature coefficients of the lattice constant, dielectric constant, and magnetic permeability, respectively. We have experimentally determined each of these parameters for Ba(Zn1/3Ta2/3)O-3, 0.8 at.% Ni-doped Ba(Zn1/3Ta2/3)O-3, and Ba(Ni1/3Ta2/3)O-3 ceramics. These results, in combination with density functional theory calculations, have allowed us to develop a much improved understanding of the fundamental physical mechanisms responsible for the temperature coefficient of resonant frequency, (f).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Columbus, Ohio Editor  
  Language Wos 000399610800034 Publication Date 2017-02-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7820 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.841 Times cited 6 Open Access  
  Notes ; ; Approved Most recent IF: 2.841  
  Call Number UA @ lucian @ c:irua:143682 Serial 4597  
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Author de Backer, W.; Vos, W.; Van Holsbeke, C.; Vinchurkar, S.; Claes, R.; Hufkens, A.; Parizel, P.M.; Bedert, L.; de Backer, J. pdf  doi
openurl 
  Title The effect of roflumilast in addition to LABA/LAMA/ICS treatment in COPD patients Type L1 Letter to the editor
  Year 2014 Publication European Respiratory Journal Abbreviated Journal Eur Respir J  
  Volume 44 Issue 2 Pages 527-529  
  Keywords L1 Letter to the editor; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Copenhagen Editor  
  Language Wos 000340017300029 Publication Date 2014-05-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0903-1936;1399-3003; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.569 Times cited 26 Open Access  
  Notes ; ; Approved Most recent IF: 10.569; 2014 IF: 7.636  
  Call Number UA @ lucian @ c:irua:117335 Serial 832  
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Author Michel, K.H.; Lamoen, D.; David, W.I.F. doi  openurl
  Title Orientational order and disorder in solid C60 : theory and diffraction experiments Type A1 Journal article
  Year 1995 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A  
  Volume 51 Issue 3 Pages 365-374  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Starting from a microscope model of the intermolecular potential, a unified description is presented of the Bragg scattering law in the orientationally disordered and in the ordered phase of solid C-60. The orientational structure factor is expanded in terms of symmetry-adapted surface harmonics. The expansion coefficients are calculated from theory and compared with experiment Their temperature evolution is studied in the disordered phase at the 260 K transitions and in the ordered phase. In the ordered phase, new results from high-resolution neutron powder diffraction are given. In the disordered phase, space group Fm $($) over bar$$ 3m, the reflections have A(1g) symmetry; in the ordered phase, space group Pa $$($) over bar 3, reflections of T-2g symmetry appear and in addition the A(1g) reflections are renormalized. The orientational density distribution is calculated. The effective crystal-field potential is constructed, its temperature evolution in the ordered phase is studied and related to the occurrence of an orientational glass.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Copenhagen Editor  
  Language Wos A1995RB59400018 Publication Date 2002-07-27  
  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 2.307 Times cited 14 Open Access  
  Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #  
  Call Number UA @ lucian @ c:irua:12189 Serial 2518  
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Author De Backer, L.A.; Vos, W.; de Backer, J.; Van Holsbeke, C.; Vinchurkar, S.; de Backer, W. pdf  doi
openurl 
  Title The acute effect of budesonide/formoterol in COPD : a multi-slice computed tomography and lung function study Type A1 Journal article
  Year 2012 Publication European Respiratory Journal Abbreviated Journal Eur Respir J  
  Volume 40 Issue 2 Pages 298-305  
  Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract The Global Initiative for Chronic Obstructive Lung Disease (GOLD) classification of chronic obstructive pulmonary disease (COPD) does not always match with other clinical disease descriptors such as exacerbation frequency and quality of life, indicating that forced expiratory volume in 1 s (FEV1) is not a perfect descriptor of the disease. The aim of this study was to find out whether changes in airway geometry after inhalation of the most commonly used inhalation therapy in severe COPD can more adequately be described with an image-based approach than with spirometry. 10 COPD GOLD stage III patients were assessed in a double-blind crossover study. Airway volumes were analysed using segmentation of multi-slice computed tomography (MSCT) images; airway resistance was determined using computational fluid dynamics (CFD). Distal airway volume significantly increased (p=0.011) in patients 4 h after receiving a budesonide/formoterol combination from 9.6+/-4.67 cm(3) to 10.14+/-4.81 cm(3). Also CFD-determined airway resistance significantly decreased (p=0.047) from 0.051+/-0.021 kPa.s.L-1 to 0.043+/- 0.019 kPa.s.L-1. None of the lung function parameters showed a significant change. Only functional residual capacity (FRC) showed a trend to decline (p=0.056). Only the image-based parameters were able to predict the visit at which the combination product was administered. This study showed that imaging is a sensitive, complementary tool to describe changes in airway structure.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Copenhagen Editor  
  Language Wos 000307291700006 Publication Date 2011-12-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0903-1936;1399-3003; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.569 Times cited 37 Open Access  
  Notes ; ; Approved Most recent IF: 10.569; 2012 IF: 6.355  
  Call Number UA @ lucian @ c:irua:101113 Serial 3568  
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Author Van Holsbeke, C.S.; Leemans, G.; Vos, W.G.; de Backer, J.W.; Vinchurkar, S.C.; Geldof, M.; Verdonck, P.R.; Parizel, P.M.; van Schil, P.E.; de Backer, W.A. pdf  doi
openurl 
  Title Functional Respiratory Imaging as a tool to personalize respiratory treatment in subjects with unilateral diaphragmatic paralysis Type A1 Journal article
  Year 2013 Publication Respiratory care Abbreviated Journal Resp Care  
  Volume Issue Pages 1-20  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract In two subjects with a unilateral diaphragmatic paralysis and complaints of dyspnea, a completely different treatment approach was chosen despite similar anatomical and physiological abnormalities. These decisions were supported by the results generated by Functional Respiratory Imaging (FRI). FRI was able to generate functional information with respect to lobar ventilation and local drug deposition. In one subject, it was found that some lobes were poorly ventilated and drug deposition simulation showed that some regions were undertreated. This subject underwent a diaphragm plication to restore the ventilation. In the other subject, it was found that all lobes were still ventilated. A conservative approach with regular follow-up was chosen to wait for spontaneous recovery of the diaphragmatic function. Both subjects improved subjectively and objectively. These cases demonstrate how novel medical imaging techniques such as FRI can be used to personalize respiratory treatment in subjects with unilateral diaphragmatic paralysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Dallas, Tex. Editor  
  Language Wos 000349200100024 Publication Date 2013-12-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1324;1943-3654; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.733 Times cited 5 Open Access  
  Notes ; ; Approved Most recent IF: 1.733; 2013 IF: 1.840  
  Call Number UA @ lucian @ c:irua:112982 Serial 1303  
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Author Peeters, F.M.; Shi, J.M.; Devreese, J.T. openurl 
  Title Magneto-optics of shallow impurities in superlattices Type H1 Book chapter
  Year 1993 Publication Abbreviated Journal  
  Volume Issue Pages 221-237  
  Keywords H1 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Kluwer Place of Publication (up) Dordrecht Editor  
  Language Wos A1993BA34C00020 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 3 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:5789 Serial 1904  
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Author Devreese, J.T.; Shi, J.M.; Peeters, F.M. openurl 
  Title Magneto-polaron effect on shallow donors in 3D en Q2S systems Type H3 Book chapter
  Year 1993 Publication Abbreviated Journal  
  Volume Issue Pages 173-184  
  Keywords H3 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Kluwer Place of Publication (up) Dordrecht Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:20360 Serial 1908  
Permanent link to this record
 

 
Author Ivanov, V.A.; Betouras, J.J.; Peeters, F.M. pdf  openurl
  Title MgB2 : superconductivity and pressure effects Type P1 Proceeding
  Year 2003 Publication Abbreviated Journal  
  Volume Issue Pages 35-46  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract We present a Ginzburg-Landau theory for a two-band superconductor with emphasis on MgB2. We propose experiments which lead to identification of the possible scenarios: whether both sigma- and pi-bands superconduct or sigma-alone. According to the second scenario a microscopic theory of superconducting MgB2 is proposed based on the strongly interacting or-electrons and non-correlated pi-electrons of boron ions. The kinematic and Coulomb interactions of sigma-electrons provide the superconducting state with an anisotropic gap of s(*)-wave symmetry. The critical temperature T-c has a non-monotonic dependence on the distance r between the centers of gravity of sigma- and pi-bands. The position of MgB2 on a bell-shaped curve T-c (r) is identified in the overdoped region. The derived superconducting density of electronic states is in agreement with available experimental and theoretical data. It is argued that the effects of pressure are crucial to identify the microscopic origin of superconductivity in MgB2. Possibilities for increase of T, are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Springer Place of Publication (up) Dordrecht Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 106 Series Issue Edition  
  ISSN 1-4020-1372-8 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:94869 Serial 2020  
Permanent link to this record
 

 
Author Peeters, F.M. openurl 
  Title The phase diagram Type H3 Book chapter
  Year 1997 Publication Abbreviated Journal  
  Volume Issue Pages 17-32  
  Keywords H3 Book chapter; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Kluwer Academic Publishers Place of Publication (up) Dordrecht Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:19261 Serial 2580  
Permanent link to this record
 

 
Author Hai, G.Q.; Peeters, F.M.; Devreese, J.T. openurl 
  Title Polaron cyclotron resonance spectrum with interface optical phonon modes in GaAs/AlAs quantum wells Type H3 Book chapter
  Year 1993 Publication Abbreviated Journal  
  Volume Issue Pages 243-252  
  Keywords H3 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Kluwer Place of Publication (up) Dordrecht Editor  
  Language Wos A1993BY55J00024 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved  
  Call Number UA @ lucian @ c:irua:5743 Serial 2664  
Permanent link to this record
 

 
Author Shanenko, A.A.; Croitoru, M.D.; Vagov, A.; Peeters, F.M. doi  openurl
  Title Superconducting nanowires : new type of BCS-BEC crossover driven by quantum-size effects Type P1 Proceeding
  Year 2011 Publication Abbreviated Journal  
  Volume Issue Pages 119-127  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract We show that a superconducting quantum nanowire undergoes a new type of BCS-BEC crossover each time when an electron subband approaches the Fermi surface. In this case the longitudinal Cooper-pair size drops by two-three orders of magnitude down to a few nanometers. This unconventional BCS-BEC crossover is driven by quantum-size effects rather than by tuning the fermion-fermion interaction.  
  Address  
  Corporate Author Thesis  
  Publisher Springer Place of Publication (up) Dordrecht Editor  
  Language Wos 000289872900009 Publication Date 2010-12-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1874-6500;1874-6535; ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the ESF-network: INSTANS. M.D.C. acknowledges support from the Alexander von Humboldt Foundation. ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:89946 Serial 3359  
Permanent link to this record
 

 
Author Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M. doi  isbn
openurl 
  Title Tuning the superconducting properties of nanomaterials Type H1 Book chapter
  Year 2009 Publication Abbreviated Journal  
  Volume Issue Pages 1-14  
  Keywords H1 Book chapter; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract Electron continement and its effect on the superconducting-to-normal phase transition driven by a magentic field and/or a current is studied in nanowires. Our investigation is based on a self-consistent numerical solution of the Bogoliubov-de Gennes equations. We find that in a parallel magneitc field and/or in the presence of a supercurrent the transition from the superconducting to the normal phase occurs as a cascade of discontinuous jumps in the superconducting order parameter for diameters D < 10 divided by 15 nm at T = 0. The critical magentic field exhibits quantum-size oscillations with pronounced resonant enhancements as a function of the wire radius.  
  Address  
  Corporate Author Thesis  
  Publisher Springer Place of Publication (up) Dordrecht Editor  
  Language Wos 000274282900001 Publication Date 2009-07-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1874-6500; ISBN 978-90-481-3118-1 Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:99226 Serial 3761  
Permanent link to this record
 

 
Author Moldovan, D.; Peeters, F.M. doi  openurl
  Title Atomic Collapse in Graphene Type P1 Proceeding
  Year 2016 Publication Nanomaterials For Security Abbreviated Journal  
  Volume Issue Pages 3-17  
  Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract When the charge Z of an atom exceeds the critical value of 170, it will undergo a process called atomic collapse which triggers the spontaneous creation of electron-positron pairs. The high charge requirements have prevented the observation of this phenomenon with real atomic nuclei. However, thanks to the relativistic nature of the carriers in graphene, the same physics is accessible at a much lower scale. The atomic collapse analogue in graphene is realized using artificial nuclei which can be created via the deposition of impurities on the surface of graphene or using charged vacancies. These supercritically charged artificial nuclei trap electrons in a sequence of quasi-bound states which can be observed experimentally as resonances in the local density of states.  
  Address  
  Corporate Author Thesis  
  Publisher Springer Place of Publication (up) Dordrecht Editor  
  Language Wos 000386506200001 Publication Date 2016-07-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 978-94-017-7593-9; 978-94-017-7591-5 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 3 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:138237 Serial 4348  
Permanent link to this record
 

 
Author de Backer, J.W.; Vos, W.G.; Vinchurkar, S.C.; Claes, R.; Drollmann, A.; Wulfrank, D.; Parizel, P.M.; Germonpré, P.; de Backer, W. pdf  doi
openurl 
  Title Validation of computational fluid dynamics in CT-based airway models with SPECT/CT1 Type A1 Journal article
  Year 2010 Publication Radiology Abbreviated Journal Radiology  
  Volume 257 Issue 3 Pages 854-862  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract Purpose: To compare the results obtained by using numerical flow simulations with the results of combined single photon emission computed tomography (SPECT) and computed tomography (CT) and to demonstrate the importance of correct boundary conditions for the numerical methods to account for the large amount of interpatient variability in airway geometry. Materials and Methods: This study was approved by all relevant institutional review boards. All patients gave their signed informed consent. In this study, six patients with mild asthma (three men; three women; overall mean age, 46 years ± 17 [standard deviation]) underwent CT at functional residual capacity and total lung capacity, as well as SPECT/CT. CT data were used for segmentation and computational fluid dynamics (CFD) simulations. A comparison was made between airflow distribution, as derived with (a) SPECT/CT through tracer concentration analysis, (b) CT through lobar expansion measurement, and (c) CFD through flow computer simulation. Also, the heterogeneity of the ventilation was examined. Results: Good agreement was found between SPECT/CT, CT, and CFD in terms of airflow distribution and hot spot detection. The average difference for the internal airflow distribution was less than 3% for CFD and CT versus SPECT/CT. Heterogeneity in ventilation patterns could be detected with SPECT/CT and CFD. Conclusion: This results of this study show that patient-specific computer simulations with appropriate boundary conditions yield information that is similar to that obtained with functional imaging tools, such as SPECT/CT.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Easton, Pa Editor  
  Language Wos 000284469300031 Publication Date 2010-11-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0033-8419;1527-1315; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.296 Times cited 100 Open Access  
  Notes ; Supported by Novartis. ; Approved Most recent IF: 7.296; 2010 IF: 6.069  
  Call Number UA @ lucian @ c:irua:85379 Serial 3831  
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Author Bogaerts, R.; de Keyser, A.; van Bockstal, L.; van der Burgt, M.; van Esch, A.; Provoost, R.; Silverans, R.; Herlach, F.; Swinnen, B.; van de Stadt, A.F.W.; Koenraad, P.M.; Wolter, J.H.; Karavolas, V.C.; Peeters, F.M.; van de Graaf, W.; Borghs, G. openurl 
  Title 2D semiconductors at the Leuven pulsed field facility Type A1 Journal article
  Year 1997 Publication Physicalia magazine Abbreviated Journal  
  Volume 19 Issue Pages 229-239  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Gent Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0770-0520 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:19257 Serial 7  
Permanent link to this record
 

 
Author Partoens, B.; Peeters, F.M. openurl 
  Title Artificial atoms and molecules Type A1 Journal article
  Year 2002 Publication Physicalia magazine Abbreviated Journal  
  Volume 24 Issue Pages 29  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Gent Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0770-0520 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:62455 Serial 152  
Permanent link to this record
 

 
Author Peeters, F.M. openurl 
  Title Probing of the electron-phonon interaction using high magnetic fields Type A1 Journal article
  Year 1997 Publication Physicalia magazine Abbreviated Journal  
  Volume 19 Issue Pages 187-194  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Gent Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0770-0520 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:19251 Serial 2715  
Permanent link to this record
 

 
Author Janssens, K.L.; Partoens, B.; Peeters, F.M. openurl 
  Title Single and coupled type II quantum dots in magnetic and electric fields Type A1 Journal article
  Year 2002 Publication Physicalia magazine Abbreviated Journal  
  Volume 24 Issue Pages 211  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Gent Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0770-0520 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:62456 Serial 3016  
Permanent link to this record
 

 
Author Milošević, M.V.; Peeters, F.M. openurl 
  Title Vortex-antivortex ionic crystals in superconducting films with magnetic pinning arays Type A1 Journal article
  Year 2004 Publication Physicalia magazine Abbreviated Journal  
  Volume 26 Issue Pages 355-370  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Gent Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0770-0520 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:57241 Serial 3852  
Permanent link to this record
 

 
Author Milošević, M.V.; Peeters, F.M. openurl 
  Title Vortex-antivortex molecules near a magnetic disk on top of a superconducting film Type A1 Journal article
  Year 2003 Publication Physicalia magazine Abbreviated Journal  
  Volume 25 Issue Pages 185-197  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Gent Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0770-0520 ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:57240 Serial 3858  
Permanent link to this record
 

 
Author Farias, G.A.; da Costa, W.B.; Peeters, F.M. doi  openurl
  Title Acoustical polarons and bipolarons in two dimensions Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 54 Issue Pages 12835-12840  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Lancaster, Pa Editor  
  Language Wos A1996VT68200039 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 30 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:15790 Serial 54  
Permanent link to this record
 

 
Author Leenaerts, O.; Partoens, B.; Peeters, F.M. pdf  url
doi  openurl
  Title Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 77 Issue Pages 125416,1-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e., charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular orbitals of the adsorbates. The efficiency of doping of the different molecules is determined and the influence of their magnetic moment is discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication (up) Lancaster, Pa Editor  
  Language Wos 000254543000133 Publication Date 2008-03-18  
  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 1392 Open Access  
  Notes This work was supported by the Flemish Science Foundation FWO-Vl, by the NOI-BOF of the University of Antwerp, and by the Belgian Science Policy IAP. Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:69634 Serial 67  
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