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Author Vos, P.E.J.; Nikolova, I.; Janssen, S. pdf  doi
openurl 
  Title A high-order model for accurately simulating the size distribution of ultrafine particles in a traffic tunnel Type A1 Journal article
  Year 2012 Publication Atmospheric environment : an international journal Abbreviated Journal  
  Volume 59 Issue Pages 415-425  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract We present a computational model for simulating the dispersion of traffic emitted particulate matter inside a road tunnel, with an emphasis on the number concentration of ultrafine particles (UFP). The model primarily calculates the size distribution of the particle number concentration at each location inside the tunnel. The proposed model differs from existing models in the sense that it uses a continuous representation of the size distribution based upon the high-order finite element method and that it solves the governing equations using the state-of-the-art discontinuous Galerkin method. Next to the traditional transport processes, the model also implements the most important aerosol transformation processes such as coagulation, condensation and dry deposition. It is shown that based upon parametrisations found in literature, the process of condensation in a traffic tunnel cannot properly be modelled. Therefore, we present a correction factor that allows for a better parametrisation. The adequate performance of the model is demonstrated by both a verification study and a validation study. For the verification we show that the discretisation error converges consistently while for the validation we compare the modelled results with a suitable set of data from a UFP measurement campaign in a Taiwanese traffic tunnel. The model is shown to correctly simulate the observed behaviour and by applying a statistical model evaluation we demonstrate that the proposed model meets widely accepted air quality model acceptance criteria. (C) 2012 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309081100047 Publication Date 2012-05-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1352-2310 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:101793 Serial 8033  
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Author Liu, J.; Jin, J.; Deng, Z.; Huang, S.Z.; Hu, Z.Y.; Wang, L.; Wang, C.; Chen, L.H.; Li, Y.; Van Tendeloo, G.; Su, B.L.; doi  openurl
  Title Tailoring CuO nanostructures for enhanced photocatalytic property Type A1 Journal article
  Year 2012 Publication Journal of colloid and interface science Abbreviated Journal J Colloid Interf Sci  
  Volume 384 Issue Pages 1-9  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report on one-pot synthesis of various morphologies of CuO nanostructures. PEG200 as a structure directing reagent under the synergism of alkalinity by hydrothermal method has been employed to tailor the morphology of CuO nanostructures. The CuO products have been characterized by XRD, SEM, and TEM. The morphologies of the CuO nanostructures can be tuned from 10 (nanoseeds, nanoribbons) to 2D (nanoleaves) and to 3D (shuttle-like, shrimp-like, and nanoflowers) by changing the volume of PEG200 and the alkalinity in the reaction system. At neutral and relatively low alkalinity (OH-/Cu2+ <= 3), the addition of PEG200 can strongly influence the morphologies of the CuO nanostructures. At high alkalinity (OH/Cu2+ >= 4), PEG200 has no influence on the morphology of the CuO nanostructure. The different morphologies of the CuO nanostructures have been used for the photodecomposition of the pollutant rhodamine B (RhB) in water. The photocatalytic activity has been correlated with the different nanostructures of CuO. The 10 CuO nanoribbons exhibit the best performance on the RhB photodecomposition because of the exposed high surface energy {-121} crystal plane. The photocatalytic results show that the high energy surface planes of the CuO nanostructures mostly affect the photocatalytic activity rather than the morphology of the CuO nanostructures. Our synthesis method also shows it is possible to control the morphologies of nanostructures in a simple way. (C) 2012 Elsevier Inc. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000308337700001 Publication Date 2012-06-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9797; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.233 Times cited 105 Open Access  
  Notes Approved Most recent IF: 4.233; 2012 IF: 3.172  
  Call Number UA @ lucian @ c:irua:101796 Serial 3468  
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Author Van Noyen, J.; Middelkoop, V.; Buysse, C.; Kovalevsky, A.; Snijkers, F.; Buekenhoudt, A.; Mullens, S.; Luyten, J.; Kretzschmar, J.; Lenaerts, S. pdf  doi
openurl 
  Title Fabrication of perovskite capillary membranes for high temperature gas separation Type A1 Journal article
  Year 2012 Publication Catalysis today Abbreviated Journal Catal Today  
  Volume 193 Issue 1 Pages 172-178  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Oxygen-permeable perovskites with mixed ionic-electronic conducting properties can play an important role in carbon capture and storage techniques. Their ability to separate oxygen from air is needed, more specifically, in oxy-fuel and pre-combustion technologies. In this work, the first detailed comparative analysis and new results are reported on four types of Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) capillary membranes: non-coated sulphur-containing; catalyst-coated sulphur-containing; non-coated sulphur-free and catalyst-coated sulphur-free. The fabrication of BSCF capillaries by a spinning technique based on phase inversion is further discussed and their oxygen separation performances are interpreted. The comparison of the performance of these different generations of BSCF capillaries of similar dimensions demonstrates a significant impact of the sulphur contamination on both the oxygen flux through the membrane and the activation energy of the overall oxygen transport mechanism. Careful attention is paid to the effect of activation layers on both sulphur-free and sulphur-containing types of capillaries. Additional long-term testing of the sulphur-free BSCF capillaries is presented, where partial decomposition of the membrane surface was observed due to kinetic demixing. (c) 2012 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000308675900025 Publication Date 2012-04-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0920-5861 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.636 Times cited 9 Open Access  
  Notes ; The authors want to express their thanks to the VITO personnel for their continuous support, especially B. Molenberghs, W. Doyen (Separation and Conversion Technology, VITO), R. Kemps, M. Mertens, I. Thijs, M. Schoeters, W. Bouwen and J. Cooymans (Materials Department, VITO). C. Buysse thankfully acknowledges a Ph.D. scholarship provided by VITO and the University of Antwerp. This work is performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ; Approved Most recent IF: 4.636; 2012 IF: 2.980  
  Call Number UA @ admin @ c:irua:101797 Serial 5951  
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Author Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. url  doi
openurl 
  Title Two-band superconductors : extended Ginzburg-Landau formalism by a systematic expansion in small deviation from the critical temperature Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 14 Pages 144514  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We derive the extended Ginzburg-Landau (GL) formalism for a clean s-wave two-band superconductor by employing a systematic expansion of the free-energy functional and the corresponding matrix gap equation in powers of the small deviation from the critical temperature tau = 1 – T/T-c. The two lowest orders of this expansion produce the equation for T-c and the standard GL theory. It is shown that in agreement with previous studies, this two-band GL theory maps onto the single-band GL model and thus fails to describe the difference in the spatial profiles of the two-band condensates. We prove that this difference appears already in the leading correction to the standard GL theory, which constitutes the extended GL formalism. We derive linear differential equations that determine the leading corrections to the band order parameters and magnetic field, discuss the validity of these equations, and consider examples of an important interplay between the band condensates. Finally, we present numerical results for the thermodynamic critical magnetic field and temperature-dependent band gaps for recent materials of interest, which are in very good agreement with those obtained from the full BCS approach in a wide temperature range. To this end, we emphasize the advantages of our extended GL theory in comparison with the often used two-component GL-like model based on an unreconstructed two-band generalization of the Gor'kov derivation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309776800001 Publication Date 2012-10-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 44 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). Authors are indebted to Y. Singh and R. Prozorov for discussions and for providing recent experimental data. A. V. is grateful to W. Pesch for stimulating discussions and critical comments on this work. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:101798 Serial 3769  
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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 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 (up) 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 Badalyan, S.M.; Peeters, F.M. url  doi
openurl 
  Title Enhancement of Coulomb drag in double-layer graphene structures by plasmons and dielectric background inhomogeneity Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 12 Pages 121405  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The drag of massless fermions in graphene double-layer structures is investigated over a wide range of temperatures and interlayer separations. We show that the inhomogeneity of the dielectric background in such graphene structures, for experimentally relevant parameters, results in a significant enhancement of the drag resistivity. At intermediate temperatures the dynamical screening via plasmon-mediated drag enhances the drag resistivity and results in an upturn in its behavior at large interlayer separations. In a range of interlayer separations, corresponding to the crossover from strong to weak coupling of graphene layers, we find that the decrease of the drag resistivity with interlayer spacing is approximately quadratic. This dependence weakens below this range of interlayer spacing while for larger separations we find a cubic (quartic) dependence at intermediate (low) temperatures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309178100003 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 (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 21 Open Access  
  Notes ; We acknowledge support from the Flemisch Science Foundation (FWO-Vl) and the Belgian Science Policy (BELSPO). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:101834 Serial 1060  
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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 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 (up) 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  
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Author Sena, S.H.R.; Pereira, J.M.; Farias, G.A.; Peeters, F.M.; Costa Filho, R.N. pdf  doi
openurl 
  Title The electronic properties of graphene and graphene ribbons under simple shear strain Type A1 Journal article
  Year 2012 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 24 Issue 37 Pages 375301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A tight-binding model is used to study the energy band of graphene and graphene ribbon under simple shear strain. The ribbon consists of lines of carbon atoms in an armchair or zigzag orientation where a simple shear strain is applied in the x-direction keeping the atomic distances in the y-direction unchanged. Such modification in the lattice gives an energy band that differs in several aspects from the one without any shear and with pure shear. The changes in the spectrum depend on the line displacement of the ribbon, and also on the modified hopping parameter. It is also shown that this simple shear strain tunes the electronic properties of both graphene and graphene ribbon, opening and closing energy gaps for different displacements of the system. The modified density of states is also shown.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000308202700011 Publication Date 2012-08-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 15 Open Access  
  Notes ; This work was supported by CNPq (RNCF), the National Council for the Improvement of Higher Education (CAPES), the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the bilateral program between Flanders and Brazil. ; Approved Most recent IF: 2.649; 2012 IF: 2.355  
  Call Number UA @ lucian @ c:irua:101838 Serial 1000  
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Author Nowak, M.P.; Szafran, B.; Peeters, F.M. url  doi
openurl 
  Title Resonant harmonic generation and collective spin rotations in electrically driven quantum dots Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 12 Pages 125428  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Spin rotations induced by an ac electric field in a two-electron double quantum dot are studied by an exact numerical solution of the time-dependent Schrodinger equation in the context of recent electric-dipole spin resonance experiments on gated nanowires. We demonstrate that the splitting of the main resonance line by the spin exchange coupling is accompanied by the appearance of fractional resonances and that both these effects are triggered by interdot tunnel coupling. We find that the ac-driven system generates residual but distinct harmonics of the driving frequency, which are amplified when tuned to the main transition frequency. The mechanism is universal for electron systems in electrically driven potentials and works also in the absence of electron-electron interaction or spin-orbit coupling.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000308867300005 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 (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 29 Open Access  
  Notes ; This work was supported by funds of the Ministry of Science and Higher Education (MNiSW) for 2012-2013 under Project No. IP2011038671, and by PL-Grid Infrastructure. M.P.N. gratefully acknowledges support from the Foundation for Polish Science (FNP) under START and MPD program cofinanced by the EU European Regional Development Fund. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:101839 Serial 2885  
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Author Euán-Díaz, E.C.; Misko, V.R.; Peeters, F.M.; Herrera-Velarde, S.; Castaneda-Priego, R. url  doi
openurl 
  Title Single-file diffusion in periodic energy landscapes : the role of hydrodynamic interactions Type A1 Journal article
  Year 2012 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 86 Issue 3Part 1 Pages 031123  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We report on the dynamical properties of interacting colloids confined to one dimension and subjected to external periodic energy landscapes. We particularly focus on the influence of hydrodynamic interactions on the mean-square displacement. Using Brownian dynamics simulations, we study colloidal systems with two types of repulsive interparticle interactions, namely, Yukawa and superparamagnetic potentials. We find that in the homogeneous case, hydrodynamic interactions lead to an enhancement of the particle mobility and the mean-square displacement at long times scales as t(alpha), with alpha = 1/2 + epsilon and epsilon being a small correction. This correction, however, becomes much more important in the presence of an external field, which breaks the homogeneity of the particle distribution along the line and, therefore, promotes a richer dynamical scenario due to the hydrodynamical coupling among particles. We provide here the complete dynamical scenario in terms of the external potential parameters: amplitude and commensurability.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000308873500002 Publication Date 2012-09-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 14 Open Access  
  Notes ; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), and PIFI 3.4-PROMEP and CONACyT (Grant Nos. 61418/2007 and 102339/2008, Ph.D. Scholarship No. 230171/ 2010). ; Approved Most recent IF: 2.366; 2012 IF: 2.313  
  Call Number UA @ lucian @ c:irua:101840 Serial 3021  
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Author Gotter, R.; Fratesi, G.; Bartynski, R.A.; da Pieve, F.; Offi, F.; Ruocco, A.; Ugenti, S.; Trioni, M.I.; Brivio, G.P.; Stefani, G. url  doi
openurl 
  Title Spin-dependent on-site electron correlations and localization in itinerant f erromagnets Type A1 Journal article
  Year 2012 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 109 Issue 12 Pages 126401  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Spin selectivity in angle-resolved Auger photoelectron coincidence spectroscopy (AR-APECS) is used to probe electron correlation in ferromagnetic thin films. In particular, exploiting the AR-APECS capability to discriminate Auger electron emission events characterized by valence hole pairs created either in the high or in the low total spin state, a strong correlation effect in the Fe M2,3VV Auger line shape (measured in coincidence with the Fe 3p photoelectrons) of Fe/Cu(001) thin films is detected and ascribed to interactions within the majority spin subband. Such an assignment follows from a close comparison of the experimental AR-APECS line shapes with the predictions of a model based on spin polarized density functional theory and the Cini-Sawatzky approach.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000308877000002 Publication Date 2012-09-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 9 Open Access  
  Notes Approved Most recent IF: 8.462; 2012 IF: 7.943  
  Call Number UA @ lucian @ c:irua:101841 Serial 3084  
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Author Sivek, J.; Leenaerts, O.; Partoens, B.; Peeters, F.M. doi  openurl
  Title First-principles investigation of bilayer fluorographene Type A1 Journal article
  Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 116 Issue 36 Pages 19240-19245  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Ab initio calculations within the density functional theory formalism are performed to investigate the stability and electronic properties of fluorinated bilayer graphene (bilayer fluorographene). A comparison is made to previously investigated graphane, bilayer graphane, and fluorographene. Bilayer fluorographene is found to be a much more stable material than bilayer graphane. Its electronic band structure is similar to that of monolayer fluorographene, but its electronic band gap is significantly larger (about 1 eV). We also calculate the effective masses around the Gamma-point for fluorographene and bilayer fluorographene and find that they are isotropic, in contrast to earlier reports. Furthermore, it is found that bilayer fluorographene is almost as strong as graphene, as its 2D Young's modulus is approximately 300 N m(-1).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000308631300022 Publication Date 2012-08-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 39 Open Access  
  Notes ; This work is supported by the ESF-Eurocores program EuroGRAPHENE (project CONERAN) and the Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 4.536; 2012 IF: 4.814  
  Call Number UA @ lucian @ c:irua:101842 Serial 1211  
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Author Shanenko, A.A.; Croitoru, M.D.; Vagov, A.V.; Axt, V.M.; Perali, A.; Peeters, F.M. url  doi
openurl 
  Title Atypical BCS-BEC crossover induced by quantum-size effects Type A1 Journal article
  Year 2012 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A  
  Volume 86 Issue 3 Pages 033612  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Quantum-size oscillations of the basic physical characteristics of a confined fermionic condensate are a well-known phenomenon. Its conventional understanding is based on the single-particle physics, whereby the oscillations follow variations in the single-particle density of states driven by the size quantization. Here we present a study of a cigar-shaped ultracold superfluid Fermi gas, which demonstrates an important many-body aspect of the quantum-size coherent effects, overlooked previously. The many-body physics is revealed here in the atypical crossover from the Bardeen-Cooper-Schrieffer (BCS) superfluid to the Bose-Einstein condensate (BEC) induced by the size quantization of the particle motion. The single-particle energy spectrum for the transverse dimensions is tightly bound, whereas for the longitudinal direction it resembles a quasi-free dispersion. This results in the formation of a series of single-particle subbands (shells) so that the aggregate fermionic condensate becomes a coherent mixture of subband condensates. Each time when the lower edge of a subband crosses the chemical potential, the BCS-BEC crossover is approached in this subband, and the aggregate condensate contains both BCS and BEC-like components.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000308639500004 Publication Date 2012-09-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1050-2947;1094-1622; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.925 Times cited 34 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). The authors thank C. Salomon and C. Vale for their valuable explications of the experimental situation and interest to our work. We are grateful to G. C. Strinati, D. Neilson, and P. Pieri for useful discussions. M. D. C. acknowledges support of the EU Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR). A. P. gratefully acknowledges financial support of the European Science Foundation, POLATOM Research Networking Programme, Ref. No. 4844 for his visit to the University of Antwerp. A. A. S. acknowledges financial support of the European Science Foundation, POLATOM Research Networking Programme, Ref. No. 5200 for his visit to the University of Camerino. ; Approved Most recent IF: 2.925; 2012 IF: 3.042  
  Call Number UA @ lucian @ c:irua:101844 Serial 203  
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Author Hadermann, J.; Abakumov, A.; Van Rompaey, S.; Perkisas, T.; Filinchuk, Y.; Van Tendeloo, G. doi  openurl
  Title Crystal structure of a lightweight borohydride from submicrometer crystallites by precession electron diffraction Type A1 Journal article
  Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 24 Issue 17 Pages 3401-3405  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We demonstrate that precession electron diffraction at low-dose conditions can be successfully applied for structure analysis of extremely electron-beam-sensitive materials. Using LiBH4 as a test material, complete structural information, including the location of the H atoms, was obtained from submicrometer-sized crystallites. This demonstrates for the first time that, where conventional transmission electron microscopy techniques fail, quantitative precession electron diffraction can provide structural information from submicrometer particles of such extremely electron-beam-sensitive materials as complex lightweight hydrides. We expect the precession electron diffraction technique to be a useful tool for nanoscale investigations of thermally unstable lightweight hydrogen-storage materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000308833400012 Publication Date 2012-08-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 17 Open Access  
  Notes Approved Most recent IF: 9.466; 2012 IF: 8.238  
  Call Number UA @ lucian @ c:irua:101845 Serial 567  
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Author Szumniak, P.; Bednarek, S.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Spin-orbit-mediated manipulation of heavy-hole spin qubits in gated semiconductor nanodevices Type A1 Journal article
  Year 2012 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 109 Issue 10 Pages 107201  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A novel spintronic nanodevice is proposed that is able to manipulate the single heavy-hole spin state in a coherent manner. It can act as a single quantum logic gate. The heavy-hole spin transformations are realized by transporting the hole around closed loops defined by metal gates deposited on top of the nanodevice. The device exploits Dresselhaus spin-orbit interaction, which translates the spatial motion of the hole into a rotation of the spin. The proposed quantum gate operates on subnanosecond time scales and requires only the application of a weak static voltage which allows for addressing heavy-hole spin qubits individually. Our results are supported by quantum mechanical time-dependent calculations within the four-band Luttinger-Kohn model.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000308295700015 Publication Date 2012-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 41 Open Access  
  Notes ; This work was supported by the Grant No. NN202 128337 from the Ministry of Science and Higher Education, as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advances Nanostructures” operated within the Foundation for Polish Science MPD Programme and cofinanced by European Regional Development Fund, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1). ; Approved Most recent IF: 8.462; 2012 IF: 7.943  
  Call Number UA @ lucian @ c:irua:101849 Serial 3094  
Permanent link to this record
 

 
Author Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  Title Unconventional vortex states in nanoscale superconductors due to shape-induced resonances in the inhomogeneous Cooper-pair condensate Type A1 Journal article
  Year 2012 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 109 Issue 10 Pages 107001  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Vortex matter in mesoscopic superconductors is known to be strongly affected by the geometry of the sample. Here we show that in nanoscale superconductors with coherence length comparable to the Fermi wavelength the shape resonances of the order parameter results in an additional contribution to the quantum topological confinement-leading to unconventional vortex configurations. Our Bogoliubov-de Gennes calculations in a square geometry reveal a plethora of asymmetric, giant multivortex, and vortex-antivortex structures, stable over a wide range of parameters and which are very different from those predicted by the Ginzburg-Landau theory. These unconventional states are relevant for high-T-c nanograins, confined Bose-Einstein condensates, and graphene flakes with proximity-induced superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000308295700014 Publication Date 2012-09-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 31 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). ; Approved Most recent IF: 8.462; 2012 IF: 7.943  
  Call Number UA @ lucian @ c:irua:101850 Serial 3801  
Permanent link to this record
 

 
Author Komendová, L.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M. pdf  doi
openurl 
  Title The healing lengths in two-band superconductors in extended Ginzburg-Landau theory Type A1 Journal article
  Year 2012 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 479 Issue Pages 126-129  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the vortex profiles in two-gap superconductors using the extended Ginzburg-Landau theory. The results shed more light on the disparity between the effective length scales in two bands. We compare the behavior expected from the standard Ginzburg-Landau theory with this new approach, and find good qualitative agreement in the case of LiFeAs. (C) 2011 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000308580600029 Publication Date 2012-01-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 1 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. ; Approved Most recent IF: 1.404; 2012 IF: 0.718  
  Call Number UA @ lucian @ c:irua:101871 Serial 3585  
Permanent link to this record
 

 
Author Zhao, H.J.; Misko, V.R.; Peeters, F.M. pdf  doi
openurl 
  Title Vortex configurations with non-monotonic interaction Type A1 Journal article
  Year 2012 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 479 Issue Pages 130-133  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The pattern formation of the vortex states with non-monotonic inter-vortex interaction is investigated. Our applied model has a short-range repulsive (r < r(c)) and long-range attractive (r > r(c)) potential. We numerically calculate the stable states using molecular-dynamics simulations. The obtained vortex patterns are comparable with the vortices states in low kappa type-II superconductors and recently discovered "type-1.5'' superconductors. We also analyze the nearest neighbor distribution of the obtained patterns. (C) 2012 Published by Elsevier B.V.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000308580600030 Publication Date 2012-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 9 Open Access  
  Notes ; We acknowledge fruitful discussions with Ernst Helmut Brandt. This work was supported by the "Odysseus'' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the IAP and FWO-Vl. ; Approved Most recent IF: 1.404; 2012 IF: 0.718  
  Call Number UA @ lucian @ c:irua:101872 Serial 3864  
Permanent link to this record
 

 
Author Lin, N.S.; Misko, V.R.; Heitmann, T.W.; Yu, K.; Plourde, B.L.T. pdf  doi
openurl 
  Title Density dependence of the rectification of vortex motion in a circular asymmetric channel Type A1 Journal article
  Year 2012 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 479 Issue Pages 137-139  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the rectification of vortex motion in an asymmetric ring channel in a Corbino setup. With an applied ac current, the motion of vortices in the channel is rectified by the asymmetric potential and induces a dc net flow. The net flow in such a system strongly depends on vortex density, and we distinguish “single-vortex'' rectification regime (for low density, when each vortex is rectified individually) determined by the potential-energy landscape inside each cell of the channel and ”multi-vortex'', or "collective'', rectification (high density case) when the interaction between vortices becomes important. (C) 2012 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000308580600032 Publication Date 2012-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links (up) UA library record; WoS full record  
  Impact Factor 1.404 Times cited Open Access  
  Notes ; This work was supported by the "Odysseus'' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles (IAP) Programme – Belgian State – Belgian Science Policy, and the FWO-Vl (Belgium). ; Approved Most recent IF: 1.404; 2012 IF: 0.718  
  Call Number UA @ lucian @ c:irua:101873 Serial 635  
Permanent link to this record
 

 
Author Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Rosner, H. url  doi
openurl 
  Title (CuCl)LaTa2O\text{7} and quantum phase transition in the (CuX)LaM2O7 family (X=Cl, Br; M=Nb, Ta) Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 6 Pages 064440-12  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J(4), as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange parameter J(eff). In (CuCl)LaTa2O7, the interdimer couplings are sufficiently strong to induce the long-range magnetic order with the Neel temperature T-N similar or equal to 7 K and the ordered magnetic moment of 0.53 mu(B), as measured with neutron diffraction. This magnetic behavior can be accounted for by J(eff)/J(4) similar or equal to 1.6 and J(4) similar or equal to 16 K. We further propose a general magnetic phase diagram for the (CuCl)LaNb2O7-type compounds, and explain the transition from the gapped spin-singlet (dimer) ground state in (CuCl)LaNb2O7 to the long-range antiferromagnetic order in (CuCl)LaTa2O7 and (CuBr)LaNb2O7 by an increase in the magnitude of the interdimer couplings J(eff)/J(4), with the (CuCl)LaM2O7 (M = Nb, Ta) compounds lying on different sides of the quantum critical point that separates the singlet and long-range-ordered magnetic ground states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000308127600006 Publication Date 2012-08-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (up) 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; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:101886 Serial 3526  
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Author Grzelczak, M.; Sánchez-Iglesias, A.; Heidari Mezerji, H.; Bals, S.; Pérez-Juste, J.; Liz-Marzán, L.M. pdf  doi
openurl 
  Title Steric hindrance induces crosslike self-assembly of gold nanodumbbells Type A1 Journal article
  Year 2012 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 12 Issue 8 Pages 4380-4384  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In the formation of colloidal molecules, directional interactions are crucial for controlling the spatial distribution of the building blocks. Anisotropic nanoparticles facilitate directional clustering via steric constraints imposed by each specific shape, thereby restricting assembly along certain directions. We show in this Letter that the combination of patchiness (attraction) and shape (steric hindrance) allows assembling gold nanodumbbell building blocks into crosslike dimers with well-controlled interparticle distance and relative orientation. Steric hindrance between interacting dumbbell-like particles opens up a new synthetic approach toward low-symmetry plasmonic clusters, which may significantly contribute to understand complex plasmonic phenomena.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000307211000081 Publication Date 2012-07-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 85 Open Access  
  Notes Nanodirect 213948-2; 262348 Esmi Approved Most recent IF: 12.712; 2012 IF: 13.025  
  Call Number UA @ lucian @ c:irua:101900 Serial 3161  
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Author Lobato, I.; van Dyck, D. doi  openurl
  Title Improved multislice calculations for including higher-order Laue zones effects Type A1 Journal article
  Year 2012 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 119 Issue Pages 63-71  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract A new method for including higher-order Laue zones (HOLZs) effects in an efficient way in electron scattering simulations has been developed and tested by detail calculations. The calculated results by the conventional multislice (CMS) method and the improved conventional multislice (ICMS) method using a large dynamical aperture to avoid numerical errors are compared with accurate results. We have found that the zero-order Laue zones (ZOLZs) reflection cannot be properly described only using the projected potential in the whole unit cell; in general, we need to subslice the electrostatic potential inside the unit cell. It is shown that the ICMS method has higher accuracy than the CMS method for the calculation of the ZOLZ, HOLZ and Pseudo-HOLZ reflections. Hence, ICMS method allows to use a larger slice thickness than the CMS method and reduces the calculation time. (C) 2012 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000308079200011 Publication Date 2012-01-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 6 Open Access  
  Notes Approved Most recent IF: 2.843; 2012 IF: 2.470  
  Call Number UA @ lucian @ c:irua:101902 Serial 1567  
Permanent link to this record
 

 
Author Huyskens, C.; De Wever, H.; Fovet, Y.; Wegmann, U.; Diels, L.; Lenaerts, S. pdf  doi
openurl 
  Title Screening of novel MBR fouling reducers : benchmarking with known fouling reducers and evaluation of their mechanism of action Type A1 Journal article
  Year 2012 Publication Separation and purification technology Abbreviated Journal Sep Purif Technol  
  Volume 95 Issue Pages 49-57  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract A novel fouling characterization method was applied for a first screening of two novel synthetic flocculants developed by BASF (BASF-1 and BASF-2) and benchmarking with six well-known products. Results showed that this MBR-VITO Fouling Measurement (VFM) was able to identify beneficial and adverse effects of different additives on the mixed liquor's reversible and irreversible fouling and, in combination with supporting mixed liquor analyses, allowed to identify the additive's main working mechanism. The first screening tests indicated that BASF-1 and BASF-2 reduced reversible and irreversible fouling to a similar extent as the known synthetic flocculants due to a charge neutralization mechanism, resulting in enhanced flocculation and SMP removal. Further testing at different additive concentrations provided a first indication of the optimal dosage and revealed a considerable risk of overdosing for BASF-2, rendering it less suited for fouling control. In contrast, such adverse effects were not observed for BASF-1. BASF-1 induced similar beneficial effects as the known MPE50 polymer at lower dosage and was therefore considered promising for application in MBRs. (C) 2012 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000307032100008 Publication Date 2012-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1383-5866 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.359 Times cited 24 Open Access  
  Notes ; The authors would like to thank K. Luyckx, J. Fret, L. Heylen, R. Muyshondt, H. Sterckx, J. Verheyden and J. Vande-Velden for technical assistance and V. Iversen for kindly supplying some of the commercial additives. Celine Huyskens is indebted to the Research Foundation-Flanders (FWO). The European Commission is acknowledged for financial support to Aquafit4use (FP7, Grant 211534). ; Approved Most recent IF: 3.359; 2012 IF: 2.894  
  Call Number UA @ admin @ c:irua:101903 Serial 5990  
Permanent link to this record
 

 
Author Buczyńska, A.J.; Geypens, B.; Van Grieken, R.; De Wael, K. pdf  doi
openurl 
  Title Stable carbon isotopic ratio measurement of polycyclic aromatic hydrocarbons as a tool for source identification and apportionment : a review of analytical methodologies Type A1 Journal article
  Year 2013 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal Talanta  
  Volume 105 Issue Pages 435-450  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The measurement of the ratio of stable isotopes of carbon (13C/12C expressed as a δ13C) in the individual components of a sample may be used as a means to identify the origin of these components. This article reviews the approaches and reports on the successes and failures of source identification and apportionment of Polycyclic Aromatic Hydrocarbons (PAHs) with the use of compound-specific isotope analysis (CSIA). One of the conditions for a precise and accurate analysis of isotope ratios with the use of GC-C-IRMS is the need for well separated peaks, with no co-elutions, and reduced unresolved complex mixture (UCM). Additionally, special care needs to be taken for an investigation of possible isotope fractionation effects introduced during the analytical treatment of samples. With the above-mentioned problems in mind, this review discusses in detail and compares current laboratory methodologies, mainly in the extraction and subsequent clean-up techniques used for environmental samples (air particulate matter, soil and sediments). Sampling strategies, the use of isotopic internal standards and the ranges for precision and accuracy are also reported and discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000319088500064 Publication Date 2012-10-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-9140; 1873-3573 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.162 Times cited 19 Open Access  
  Notes ; ; Approved Most recent IF: 4.162; 2013 IF: 3.511  
  Call Number UA @ admin @ c:irua:102091 Serial 5845  
Permanent link to this record
 

 
Author Potgieter-Vermaak, S.; Rotondo, G.; Novacovic, V.; Rollins, S.; Van Grieken, R. pdf  doi
openurl 
  Title Component-specific toxic concerns of the inhalable fraction of urban road dust Type A1 Journal article
  Year 2012 Publication Environmental geochemistry and health Abbreviated Journal  
  Volume 34 Issue 6 Pages 689-696  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Continuous global urbanisation causes an ever-growing ecological footprint of pollution. Road dust (RD), one of these pollutants, poses a health concern due to carcinogenic and toxic components potentially present in the micron-sized fractions. The literature reports on the concentrations of trace, toxic metals and metalloids present in RD (Hooker and Nathanail in Chem Geol 226:340-351, 2006), but the literature on its molecular composition is limited. Recent reports on the bioaccessibility of platinum group metals are also reported (Colombo et al. in Chem Geol 226:340-351, 2008). In vitro and animal toxicological studies confirmed that the chemical composition of inhaled particles plays a major role in its toxic, genotoxic and carcinogenic mechanisms, but the component-specific toxic effects are still not understood. Particle-bound airborne transition metals can also lead to the production of reactive oxygen species in lung tissue; a special concern amongst particularly susceptible cohorts (children and elderly). The characterisation of the molecular composition of the fine fraction is evidently of importance for public health. During a pilot study, partially characterised size-fractioned RD samples (Barrett et al. in Eviron Sci Technol 44:2940-2946, 2010) were analysed for their elemental concentration using X-ray fluorescence spectrometry and inductively coupled plasma mass spectrometry. In addition, separately dispersed particles (200 particles per size fraction) were analysed individually by means of computer-controlled electron probe X-ray micro-analysis (CC-EPXMA) and their molecular structure probed by studying elemental associations. These were correlated with micro-Raman spectroscopy (MRS) results. It was found that the fine fraction (< 38 mu m) had the highest Pb (238 ppm) and Cr (171 ppm) concentrations. The CC-EPXMA data showed > 50 % association of Cr-rich particles with Pb, and the MRS data showed that the Cr was mostly present as lead chromate and therefore in the Cr(VI) oxidation state. Concentrations of both Pb and Cr decreased substantially (279 (< 38 mu m)-13 ppm (< 1 mm); 171 (< 38 mu m)-91 ppm (< 1 mm), respectively) in the larger fractions. Apart from rather alarmingly high concentrations of oxidative stressors (Cu, Fe, Mn), the carcinogenic and toxic potential of the inhalable fraction is evident. Preliminary bioaccessibility data indicated that both Cr and Pb are readily mobilised in artificial lysosomal liquid and up to 19 % of Cr and 47 % of Pb were released.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000310540300005 Publication Date 2012-09-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0269-4042 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:102135 Serial 7699  
Permanent link to this record
 

 
Author Haest, P.J.; Springael, D.; Seuntjens, P.; Smolders, E. pdf  doi
openurl 
  Title Self-inhibition can limit biologically enhanced TCE dissolution from a TCE DNAPL Type A1 Journal article
  Year 2012 Publication Chemosphere Abbreviated Journal  
  Volume 89 Issue 11 Pages 1369-1375  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Biodegradation of trichloroethene (TCE) near a Dense Non Aqueous Phase Liquid (DNAPL) can enhance the dissolution rate of the DNAPL by increasing the concentration gradient at the DNAPL-water interface. Two-dimensional flow-through sand boxes containing a ICE DNAPL and inoculated with a TCE dechlorinating consortium were set up to measure this bio-enhanced dissolution under anaerobic conditions. The total mass of TCE and daughter products in the effluent of the biotic boxes was 3-6 fold larger than in the effluent of the abiotic box. However, the mass of daughter products only accounted for 19-55% of the total mass of chlorinated compounds in the effluent, suggesting that bio-enhanced dissolution factors were maximally 1.3-2.2. The enhanced dissolution most likely primarily resulted from variable DNAPL distribution rather than biodegradation. Specific dechlorination rates previously determined in a stirred liquid medium were used in a reactive transport model to identify the rate limiting factors. The model adequately simulated the overall TCE degradation when predicted resident microbial numbers approached observed values and indicated an enhancement factor for TCE dissolution of 1.01. The model shows that dechlorination of TCE in the 20 box was limited due to the short residence time and the self-inhibition of the TCE degradation. A parameter sensitivity analysis predicts that the bio-enhanced dissolution factor for this TCE source zone can only exceed a value of 2 if the TCE self-inhibition is drastically reduced (when a TCE tolerant dehalogenating community is present) or if the DNAPL is located in a low-permeable layer with a small Darcy velocity. (C) 2012 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000310112600015 Publication Date 2012-06-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0045-6535; 1879-1298 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:102142 Serial 8512  
Permanent link to this record
 

 
Author Kishore, V.V.R.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Electronic structure of InAs/GaSb core-shell nanowires Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 16 Pages 165439-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic and optical properties of InAs/GaSb core-shell nanowires are investigated within the effective mass k . p approach. These systems have a broken band gap, which results in spatially separated confinement of electrons and holes. We investigated these structures for different sizes of the InAs and GaSb core and shell radius. We found that for certain configurations, the conduction band states penetrate into the valence band states resulting in a negative band gap (E-g < 0), which leads to a conduction band ground state that lies below the valence band ground state at the Gamma point. For certain core-shell wires, only one conduction band state penetrates into the valence band and in this case, a minigap Delta opens up away from the Gamma point and as a consequence the electronic properties of the nanowire now depend on both E-g and Delta values.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000310131400005 Publication Date 2012-10-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 26 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:102164 Serial 1014  
Permanent link to this record
 

 
Author Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. doi  openurl
  Title On the c-Si\mid a-SiO2 interface in hyperthermal Si oxidation at room temperature Type A1 Journal article
  Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 116 Issue 41 Pages 21856-21863  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The exact structure and properties of the Si vertical bar SiO2 interface are very important in microelectronics and photovoltaic devices such as metal-oxide-semiconductor field-effect transistors (MOSFETs) and solar cells. Whereas Si vertical bar SiO2 structures are traditionally produced by thermal oxidation, hyperthermal oxidation shows a number of promising advantages. However, the Si vertical bar SiO2 interface induced in hyperthermal Si oxidation has not been properly investigated yet. Therefore, in this work, the interface morphology and interfacial stresses during hyperthermal oxidation at room temperature are studied using reactive molecular dynamics simulations based on the ReaxFF potential. Interface thickness and roughness, as well as the bond length and bond angle distributions in the interface are discussed and compared with other models developed for the interfaces induced by traditional thermal oxidation. The formation of a compressive stress is observed. This compressive stress, which at the interface amounts about 2 GPa, significantly slows down the inward silica growth. This value is close to the experimental value in the Si vertical bar SiO2 interface obtained in traditional thermal oxidation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000309902100026 Publication Date 2012-09-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 27 Open Access  
  Notes Approved Most recent IF: 4.536; 2012 IF: 4.814  
  Call Number UA @ lucian @ c:irua:102167 Serial 2458  
Permanent link to this record
 

 
Author Lipavsky, P.; Elmurodov, A.; Lin, P.-J.; Matlock, P.; Berdiyorov, G.R. url  doi
openurl 
  Title Effect of normal current corrections on the vortex dynamics in type-II superconductors Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 14 Pages 144516-144518  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Within the time-dependent Ginzburg-Landau theory we discuss the effect of nonmagnetic interactions between the normal current and supercurrent in the presence of electric and magnetic fields. The correction due to the current-current interactions is shown to have a transient character so that it contributes only when a system evolves. Numerical studies for thin current-carrying superconducting strips with no magnetic feedback show that the effect of the normal current corrections is more pronounced in the resistive state where fast-moving kinematic vortices are formed. Simulations also reveal that the largest contribution due to current-current interactions appears near the sample edges, where the vortices reach their maximal velocity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309809700007 Publication Date 2012-10-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 4 Open Access  
  Notes ; The authors are grateful to Alex Gurevich and Tom Lemberger who brought the longitudinal f-sum rule to our attention. This work was supported by Grants GACR P204/10/0687 and P204/11/0015. We also acknowledge the support from the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). G.R.B. acknowledges individual support from FWO-Vl. P.-J.L. acknowledges support from Old Dominion University. P.M. acknowledges support through UA research index SR-614-1203. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:102168 Serial 827  
Permanent link to this record
 

 
Author Gielis, J.; Caratelli, D.; Fougerolle, Y.; Ricci, P.E.; Tavkelidze, I.; Gerats, T. url  doi
openurl 
  Title Universal natural shapes : from unifying shape description to simple methods for shape analysis and boundary value problems Type A1 Journal article
  Year 2012 Publication PLoS ONE Abbreviated Journal  
  Volume 7 Issue 9 Pages e29324-11  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Gielis curves and surfaces can describe a wide range of natural shapes and they have been used in various studies in biology and physics as descriptive tool. This has stimulated the generalization of widely used computational methods. Here we show that proper normalization of the Levenberg-Marquardt algorithm allows for efficient and robust reconstruction of Gielis curves, including self-intersecting and asymmetric curves, without increasing the overall complexity of the algorithm. Then, we show how complex curves of k-type can be constructed and how solutions to the Dirichlet problem for the Laplace equation on these complex domains can be derived using a semi-Fourier method. In all three methods, descriptive and computational power and efficiency is obtained in a surprisingly simple way.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000309517500001 Publication Date 2012-09-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-6203 ISBN Additional Links (up) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:102202 Serial 8711  
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