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Author Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title Electronic and magnetic properties of superlattices of graphene/graphane nanoribbons with different edge hydrogenation Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 16 Pages 165412-165412,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of hydrogenation at the interfaces between the two materials. When both zigzag interfaces are fully hydrogenated, the superlattice behaves like a freestanding zigzag graphene nanoribbon, and the magnetic ground state is antiferromagnetic. When one of the interfaces is half hydrogenated, the magnetic ground state becomes ferromagnetic, and the system is very close to being a half metal with possible spintronics applications whereas the magnetic ground state of the superlattice with both interfaces half hydrogenated is again antiferromagnetic. In this last case, both edges of the graphane nanoribbon also contribute to the total magnetization of the system. All the spin-polarized ground states are semiconducting, independent of the degree of hydrogenation of the interfaces. The ab initio results are supplemented by a simple tight-binding analysis that captures the main qualitative features. Our ab initio results show that patterned hydrogenation of graphene is a promising way to obtain stable graphene nanoribbons with interesting technological applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000282569500011 Publication Date (up) 2010-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 46 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (FW/08/01). A. D. H. acknowledges also support from ANPCyT (under Grant No. PICT2008-2236) ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:85030 Serial 996  
Permanent link to this record
 

 
Author Lin, K.; Lebedev, O.I.; Van Tendeloo, G.; Jacobs, P.A.; Pescarmona, P.P. pdf  doi
openurl 
  Title Titanosilicate beads with hierarchical porosity : synthesis and application as epoxidation catalysts Type A1 Journal article
  Year 2011 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J  
  Volume 16 Issue 45 Pages 13509-13518  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Porous titanosilicate beads with a diameter of 0.51.5 mm (TiSil-HPB-60) were synthesized from a preformed titanosilicate solution with a porous anion-exchange resin as template. The bead format of this material enables its straightforward separation from the reaction mixture in its application as a liquid-phase heterogeneous catalyst. The material displays hierarchical porosity (micro/mesopores) and incipient TS-1 structure building units. The titanium species are predominantly located in tetrahedral framework positions. TiSil-HPB-60 is a highly active catalyst for the epoxidation of cyclohexene with t-butyl hydroperoxide (TBHP) and aqueous H2O2. With both oxidants, TiSil-HPB-60 gave higher epoxide yields than Ti-MCM-41 and TS-1. The improved catalytic performance of TiSil-HPB-60 is mainly ascribed to the large mesopores favoring the diffusion of reagents and products to and from the titanium active sites. The epoxide yield and selectivity could be further improved by silylation of the titanosilicate beads. Importantly, TiSil-HPB-60 is a stable catalyst immune to titanium leaching, and can be easily recovered and reused in successive catalytic cycles without significant loss of activity. Moreover, TiSil-HPB-60 is active and selective in the epoxidation of a wide range of bulky alkenes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000285398400029 Publication Date (up) 2010-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.317 Times cited 38 Open Access  
  Notes Iap; Goa Approved Most recent IF: 5.317; 2011 IF: 5.925  
  Call Number UA @ lucian @ c:irua:88153 Serial 3668  
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Author Darchuk, L.A.; Zaverbna, L.V.; Worobiec, A.; Van Grieken, R. doi  openurl
  Title Structural features of human tooth tissues affected by high dose of external ionizing radiation after nuclear catastrophe of Chernobyl plant Type A1 Journal article
  Year 2011 Publication Microchemical journal Abbreviated Journal  
  Volume 97 Issue 2 Pages 282-285  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)  
  Abstract The application of micro-Raman spectroscopy is discussed for the analysis of structural features of human tooth tissues affected by high doses of external ionizing radiation (0.51.7 Gy) after the nuclear plant catastrophe in Chernobyl in 1986. The results have shown significant changes in the mineral matrix of dental enamel that lead to the decrease of tooth enamel hardness. Destruction of the collagen chain of the organic matrix has been observed for dentin and cementum.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000286558200029 Publication Date (up) 2010-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:86818 Serial 8585  
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Author Schattschneider, P.; Verbeeck, J.; Mauchamp, V.; Jaouen, M.; Hamon, A.-L. url  doi
openurl 
  Title Real-space simulations of spin-polarized electronic transitions in iron Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 14 Pages 144418-144418,11  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract After the advent of energy-loss magnetic chiral dichroism (EMCD) in 2006, rapid progress in theoretical understanding and in experimental performance was achieved, recently demonstrating a spatial resolution of better than 2 nm. Similar to the x-ray magnetic circular dichroism technique, EMCD is used to study atom specific magnetic moments. The latest generation of electron microscopes opens the road to the mapping of spin moments on the atomic scale with this method. Here the theoretical background to reach this challenging aim is elaborated. Numerical simulations of the L3 transition in an Fe specimen, based on a combination of the density-matrix approach for inelastic electron scattering with the propagation of the probe electron in the lattice potential indicate the feasibility of single spin mapping in the electron microscope.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000282678900006 Publication Date (up) 2010-10-08  
  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 11 Open Access  
  Notes P.S. acknowledges the support of the Austrian Science Fund, Project No. I543-N20. Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:85029UA @ admin @ c:irua:85029 Serial 2832  
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Author Ustarroz, J.; Gupta, U.; Hubin, A.; Bals, S.; Terryn, H. pdf  doi
openurl 
  Title Electrodeposition of Ag nanoparticles onto carbon coated TEM grids : a direct approach to study early stages of nucleation Type A1 Journal article
  Year 2010 Publication Electrochemistry communications Abbreviated Journal Electrochem Commun  
  Volume 12 Issue 12 Pages 1706-1709  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract An innovative experimental approach to study the electrodeposition of small nanoparticles and the early stages of electrochemical nucleation and growth is presented. Carbon coated gold TEM grids are used as substrates for the electrodeposition of silver nanoparticles so that electrochemical data, FESEM, HAADFSTEM and HRTEM data can be acquired from the same sample without the need to remove the particles from the substrate. It is shown that the real distribution of nanoparticles cannot be resolved by FESEM whereas HAADFSTEM analysis confirms that a distribution of small nanoparticles (d ≈ 12 nm) coexist with large nanoparticles corresponding to a bimodal size distribution. Besides, particles grown under the same conditions have been found to present different structures such as monocrystals, polycrystals or aggregates of smaller particles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000285904700010 Publication Date (up) 2010-10-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1388-2481; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.396 Times cited 52 Open Access  
  Notes Fwo Approved Most recent IF: 4.396; 2010 IF: 4.287  
  Call Number UA @ lucian @ c:irua:87612 Serial 900  
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Author Tan, H.; Lebedev, O.I.; McLaughlin, A.C.; Van Tendeloo, G. pdf  doi
openurl 
  Title The superstructure and superconductivity of Ru1222 based RuSr2Gd2-x-yYyCexCu2O10-\delta compounds Type A1 Journal article
  Year 2010 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 23 Issue 11 Pages 115013-115013,8  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract For the first time, the local structure and physical properties of Ru1222 based compounds (RuSr(2)Gd(1.4)Ce(0.6)Cu(2)O(10-delta) and RuSr(2)Gd(1.8-x)Y(0.2)CexCu(2)O(10) (x = 0.90-0.55)) have been investigated and analyzed together on the very same compounds. The Ru1222 superstructure was confirmed by TEM at a local scale and was suggested to have an orthorhombic symmetry with space group Aba2 and lattice parameters a(s) similar or equal to root 2a, b(s) similar or equal to root 2a and c(s) = c. This new Ru1222 superstructure distortion from tetragonal symmetry is proposed to have a positive correlation with the superconductivity variation of these compounds. The more the distortion towards orthorhombic symmetry, the higher the critical superconducting temperature these compounds can achieve. The T(c)(0) of RuSr(2)Gd(1.8-x)Y(0.2)Ce(x)Cu(2)O(10-delta) (x = 0.85-0.55) increases monotonically from 4 to 16 K when x decreases from 0.85 to 0.70, then RuSr(2)Gd(2)Cu(2)O(8) defects emerge and the T(c) decreases with decreasing x. Ru1212 defects are observed to intergrow epitaxially with the Ru1222 structure as lamellas along the c-axis in RuSr(2)Gd(1.4)Ce(0.6)Cu(2)O(10-delta). Although Ru1212 is a superconductor, the intergrowth severely restrains its superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000284308000013 Publication Date (up) 2010-10-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited 1 Open Access  
  Notes Fwo; Esteem 026019 Approved Most recent IF: 2.878; 2010 IF: 2.402  
  Call Number UA @ lucian @ c:irua:95553 Serial 3385  
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Author Hauchecorne, B.; Tytgat, T.; Terrens, D.; Vanpachtenbeke, F.; Lenaerts, S. pdf  doi
openurl 
  Title Validation of a newly developed FTIR in situ reactor: real time study of photocatalytic degradation of nitric oxide Type A1 Journal article
  Year 2010 Publication Infrared physics and technology Abbreviated Journal Infrared Phys Techn  
  Volume 53 Issue 6 Pages 469-473  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract For many years, photocatalysis has been proposed as one of the promising techniques to abate environmental pollutants. To improve these reactions it is vital to know the reaction mechanisms of the photocatalytic degradation. This new reactor will make it possible to study the catalytic surface at the moment the reactions occur. By the means of UV LED illumination there is no need of an external UV lamp and thus lowers the cost. The validation of this newly developed reactor is done by investigating the photocatalytic reaction mechanism of nitric oxide (NO) and comparing these findings with those already discussed in literature. From these results, it became clear that the newly developed FTIR in situ reactor allows real time study of photocatalytic degradations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000285169400009 Publication Date (up) 2010-10-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1350-4495 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.713 Times cited 12 Open Access  
  Notes ; ; Approved Most recent IF: 1.713; 2010 IF: 0.932  
  Call Number UA @ admin @ c:irua:84561 Serial 6002  
Permanent link to this record
 

 
Author Neyts, E.C.; Shibuta, Y.; van Duin, A.C.T.; Bogaerts, A. doi  openurl
  Title Catalyzed growth of carbon nanotube with definable chirality by hybrid molecular dynamics-force biased Monte Carlo simulations Type A1 Journal article
  Year 2010 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 4 Issue 11 Pages 6665-6672  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Metal-catalyzed growth mechanisms of carbon nanotubes (CNTs) were studied by hybrid molecular dynamics−Monte Carlo simulations using a recently developed ReaxFF reactive force field. Using this novel approach, including relaxation effects, a CNT with definable chirality is obtained, and a step-by-step atomistic description of the nucleation process is presented. Both root and tip growth mechanisms are observed. The importance of the relaxation of the network is highlighted by the observed healing of defects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000284438000043 Publication Date (up) 2010-10-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 129 Open Access  
  Notes Approved Most recent IF: 13.942; 2010 IF: 9.865  
  Call Number UA @ lucian @ c:irua:84759 Serial 294  
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Author Covaci, L.; Peeters, F.M.; Berciu, M. url  doi
openurl 
  Title Efficient numerical approach to inhomogeneous superconductivity: the Chebyshev-Bogoliubov-de Gennes method Type A1 Journal article
  Year 2010 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 105 Issue 16 Pages 167006,1-167006,4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Greens functions of a superconductor. Broken translational invariance of any type (impurities, surfaces, or magnetic fields) can be easily incorporated. We show that limitations due to system size can be easily circumvented and therefore this method opens the way for the study of scenarios and/or geometries that were unaccessible before. The proposed method is highly efficient and amenable to large scale parallel computation. Although we only use it in the context of superconductivity, it is applicable to other inhomogeneous mean-field theories.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000282816300018 Publication Date (up) 2010-10-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 80 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), CIfAR, and NSERC. Discussions with Frank Marsiglio are gratefully acknowledged. ; Approved Most recent IF: 8.462; 2010 IF: 7.622  
  Call Number UA @ lucian @ c:irua:84899 Serial 875  
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Author Yang, T.; Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Nowik, I.; Stephens, P.W.; Hamberger, J.; Tsirlin, A.A.; Ramanujachary, K.V.; Lofland, S.; Croft, M.; Ignatov, A.; Sun, J.; Greenblatt, M. pdf  doi
openurl 
  Title _BiMnFe2O6, a polysynthetically twinned hcp MO structure Type A1 Journal article
  Year 2010 Publication Chemical science Abbreviated Journal Chem Sci  
  Volume 1 Issue 6 Pages 751-762  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The most efficient use of spatial volume and the lowest potential energies in the metal oxide structures are based on cubic close packing (ccp) or hexagonal close packing (hcp) of anions with cations occupying the interstices. A promising way to tune the composition of close packed oxides and design new compounds is related to fragmenting the parent structure into modules by periodically spaced planar interfaces, such as twin planes at the unit cell scale. The unique crystal chemistry properties of cations with a lone electron pair, such as Bi3+ or Pb2+, when located at interfaces, enables them to act as chemical scissors, to help relieve configurational strain. With this approach, we synthesized a new oxide, BiMnFe2O6, where fragments of the hypothetical hcp oxygen-based MO structure (the NiAs structure type), for the first time, serve as the building modules in a complex transition metal oxide. Mn3+ and Fe3+ ions are randomly distributed in two crystallographically independent sites (M1 and M2). The structure consists of quasi two-dimensional blocks of the 2H hexagonal close packed MO structure cut along the (114) crystal plane of the hcp lattice and stacked along the c axis. The blocks are related by a mirror operation that allows BiMnFe2O6 to be considered as a polysynthetically twinned 2H hcp MO structure. The transition to an AFM state with an incommensurate spin configuration at [similar] 212 K is established by 57Fe Mössbauer spectroscopy, magnetic susceptibility, specific heat and low temperature powder neutron diffraction.  
  Address  
  Corporate Author Thesis  
  Publisher Royal Society of Chemistry Place of Publication Cambridge Editor  
  Language Wos 000283939200013 Publication Date (up) 2010-10-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-6520;2041-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.668 Times cited 12 Open Access  
  Notes Approved Most recent IF: 8.668; 2010 IF: NA  
  Call Number UA @ lucian @ c:irua:85823 Serial 3517  
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Author Efimov, K.; Xu, Q.; Feldhoff, A. pdf  doi
openurl 
  Title Transmission electron microscopy study of BA0.5Sr0.5CO0.8Fe0.2O3-\delta Perovskite decomposition at intermediate temperatures Type A1 Journal article
  Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 22 Issue 21 Pages 5866-5875  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The cubic perovskite Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) (denoted BSCF) is the state-of-the-art ceramic membrane material used for oxygen separation technologies above 1150 K. BSCF is a mixed oxygen-ion and electron conductor (MIEC) and exhibits one of the highest oxygen permeabilities reported so far for dense oxides. Additionally, it has excellent phase stability above 1150 K. In the intermediate temperature range (750-1100 K), however, BSCF suffers from a slow decomposition of the cubic perovskite into variants with hexagonal stacking that are barriers to oxygen transport. To elucidate details of the decomposition process, both sintered BSCF ceramic and powder were annealed for 180-240 h in ambient air at temperatures below 1123 K and analyzed by different transmission electron microscopy techniques. Aside from hexagonal perovskite Ba(0.5)Sr(0.5)CoO(3-delta) , the formation of lamellar noncubic phases was observed in the quenched samples. The structure of the lamellae with the previously unknown composition Ba(1-x)Sr(x)Co(2-y)Fe(y)O(5-delta) was found to be related to the 15R hexagonal perovskite polytype. The valence and spin-state transition of cobalt leading to a considerable diminution of its ionic radius can be considered a reason for BSCF's inherent phase instability at intermediate temperatures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000283623700010 Publication Date (up) 2010-10-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 117 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 9.466; 2010 IF: 6.400  
  Call Number UA @ lucian @ c:irua:95546 Serial 3720  
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Author Neek-Amal, M.; Peeters, F.M. doi  openurl
  Title Defected graphene nanoribbons under axial compression Type A1 Journal article
  Year 2010 Publication Applied physics letters Abbreviated Journal Appl Phys Lett  
  Volume 97 Issue 15 Pages 153118,1-153118,3  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The buckling of defected rectangular graphene nanoribbons when subjected to axial stress with supported boundary conditions is investigated using atomistic simulations. The buckling strain and mechanical stiffness of monolayer graphene decrease with the percentage of randomly distributed vacancies. The elasticity to plasticity transition in the stress-strain curve, at low percentage of vacancies, are found to be almost equal to the buckling strain thresholds and they decrease with increasing percentage of vacancies.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000283216900069 Publication Date (up) 2010-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.411 Times cited 43 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (WO-Vl) and the Belgian Science Policy (IAP) ; Approved Most recent IF: 3.411; 2010 IF: 3.841  
  Call Number UA @ lucian @ c:irua:85789 Serial 624  
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Author Wendelen, W.; Autrique, D.; Bogaerts, A. url  doi
openurl 
  Title Space charge limited electron emission from a Cu surface under ultrashort pulsed laser irradiation Type A1 Journal article
  Year 2010 Publication AIP conference proceedings Abbreviated Journal  
  Volume 1278 Issue Pages 407-415  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this theoretical study, the electron emission from a copper surface under ultrashort pulsed laser irradiation is investigated using a one dimensional particle in cell model. Thermionic emission as well as multi-photon photoelectron emission were taken into account. The emitted electrons create a negative space charge above the target, consequently the generated electric field reduces the electron emission by several orders of magnitude. The simulations indicate that the space charge effect should be considered when investigating electron emission related phenomena in materials under ultrashort pulsed laser irradiation of metals.the word abstract, but do replace the rest of this text. ©2010 American Institute of Physics  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000287183900042 Publication Date (up) 2010-10-19  
  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 Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:88899 Serial 3058  
Permanent link to this record
 

 
Author Kalyuzhnaya, A.S.; Abakumov, A.M.; Rozova, M.G.; d' Hondt, H.; Hadermann, J.; Antipov, E.V. doi  openurl
  Title Synthesis and crystal structure of the new complex oxide Ca7Mn2.14Ga5.86O17.93 Type A1 Journal article
  Year 2010 Publication Russian chemical bulletin Abbreviated Journal Russ Chem B+  
  Volume 59 Issue 4 Pages 706-711  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The complex oxide Ca7Mn2.14Ga5.86O17.93 was synthesized by the solid-state reaction in a sealed evacuated quartz tube at 1000 °C. Its crystal structure was determined by electron diffraction and X-ray powder diffraction. The structure can be represented as a tetrahedral framework, viz., the polyanion [(Mn0.285Ga0.715)15O29.86]19- stabilized by the incorporated cation [Ca14GaO6]19+. The polycation consists of the GaO6 octahedra surrounded by the Ca atoms, which are arranged to form a cube capped at all places. The tetrahedral framework is partially disordered due to the presence of tetrahedra with two possible orientations in the positions (0, 0, 0) and (x, x, x) with x ≈ 0.15 and 0.17. The relationship between the Ca7Mn2.14Ga5.86O17.93 structures and related ordered phases with the symmetry F23, as well as the influence of the oxygen content on the ordering in the tetrahedral framework, are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000283302000006 Publication Date (up) 2010-10-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1066-5285;1573-9171; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.529 Times cited 1 Open Access  
  Notes Approved Most recent IF: 0.529; 2010 IF: 0.629  
  Call Number UA @ lucian @ c:irua:85675 Serial 3427  
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Author van Holsbeke, C.; de Backer, J.; Vos, W.; Verdonck, P.; van Ransbeeck, P.; Claessens, T.; Braem, M.; Vanderveken, O.; de Backer, W. pdf  doi
openurl 
  Title Anatomical and functional changes in the upper airways of sleep apnea patients due to mandibular repositioning: a large scale study Type A1 Journal article
  Year 2011 Publication Journal of biomechanics Abbreviated Journal J Biomech  
  Volume 44 Issue 3 Pages 442-449  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Laboratory Experimental Medicine and Pediatrics (LEMP); Translational Neurosciences (TNW)  
  Abstract The obstructive sleep apnea-hypopnea syndrome (OSAHS) is a sleep related breathing disorder. A popular treatment is the use of a mandibular repositioning appliance (MRA) which advances the mandibula during the sleep and decreases the collapsibility of the upper airway. The success rate of such a device is, however, limited and very variable within a population of patients. Previous studies using computational fluid dynamics have shown that there is a decrease in upper airway resistance in patients who improve clinically due to an MRA. In this article, correlations between patient-specific anatomical and functional parameters are studied to examine how MRA induced biomechanical changes will have an impact on the upper airway resistance. Low-dose computed tomography (CT) scans are made from 143 patients suffering from OSAHS. A baseline scan and a scan after mandibular repositioning (MR) are performed in order to study variations in parameters. It is found that MR using a simulation bite is able to induce resistance changes by changing the pharyngeal lumen. The change in minimal cross-sectional area is the best parameter to predict the change in upper airway resistance. Looking at baseline values, the ideal patients for MR induced resistance decrease seem to be women with short airways, high initial resistance and no baseline occlusion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000287551000014 Publication Date (up) 2010-10-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9290; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.664 Times cited 23 Open Access  
  Notes ; ; Approved Most recent IF: 2.664; 2011 IF: 2.434  
  Call Number UA @ lucian @ c:irua:85305 Serial 112  
Permanent link to this record
 

 
Author Klimczuk, T.; Wang, C.H.; Xu, Q.; Lawrence, J.; Durakiewicz, T.; Ronning, F.; Llobet, A.; Bauer, E.D.; Griveau, J.-C.; Sadowski, W.; Zandbergen, H.W.; Thompson, J.D.; Cava, R.J. pdf  doi
openurl 
  Title Crystal growth of CsCl-type Yb0.24Sn0.76Ru Type A1 Journal article
  Year 2011 Publication Journal of crystal growth Abbreviated Journal J Cryst Growth  
  Volume 318 Issue 1 Pages 1005-1008  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The YbRuSn ternary system was investigated and a new material, Yb0.24Sn0.76Ru, with a simple cubic crystal structure, was discovered. Yb0.24Sn0.76Ru has a smaller lattice parameter a=3.217(4) Å, than its isostructural YbRu analogue (a=3.360 Å). Both X-ray diffraction and electron microscopy techniques were used to refine the crystal structure of Yb0.24Sn0.76Ru. It was found that a new compound forms in the CsCl structure, with Ru on the 1a site and a (Yb, Sn) mixture on site 1b. The XRD Rietveld analysis provides the occupation of Yb equal to 0.24, in agreement with the single crystal nano-electron diffraction refinement, which gives the occupation 0.21.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000289653900220 Publication Date (up) 2010-10-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-0248; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.751 Times cited 1 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 1.751; 2011 IF: 1.726  
  Call Number UA @ lucian @ c:irua:89966 Serial 556  
Permanent link to this record
 

 
Author Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Van Tendeloo, G.; Greenblatt, M. doi  openurl
  Title Synthesis and structure determination of ferromagnetic semiconductors LaAMnSnO6(A = Sr, Ba) Type A1 Journal article
  Year 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 21 Issue 1 Pages 199-205  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract LaAMnSnO(6) (A = Sr, Ba) have been synthesized by high temperature solid-state reactions under dynamic 1% H(2)/Ar flow. Rietveld refinements on room temperature powder X-ray diffraction data indicate that LaSrMnSnO(6) crystallizes in the GdFeO(3)-structure, with space group Pnma and, combined with transmission electron microscopy, LaBaMnSnO(6) in Imma. Both space groups are common in disordered double-perovskites. The Mn(3+) and Sn(4+) ions whose valence states were confirmed by X-ray absorption spectroscopy, are completely disordered over the B-sites and the BO(6) octahedra are slightly distorted. LaAMnSnO(6) are ferromagnetic semiconductors with a T(C) = 83 K for the Sr- and 66 K for the Ba-compound. The title compounds, together with the previously reported LaCaMnSnO(6) provide an interesting example of progression from Pnma to Imma as the tolerance factor increases. An analysis of the relationship between space group and tolerance factor for the series LaAMnMO(6) (A = Ca, Sr, Ba; M = Sn, Ru) provides a better understanding of the symmetry determination for double perovskites.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000285067300025 Publication Date (up) 2010-10-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-9428;1364-5501; 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:95527 Serial 3440  
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Author Doria, M.M.; de Romaguera, A.R.C.; Peeters, F.M. doi  openurl
  Title The ground states of the two-component order parameter superconductor Type A1 Journal article
  Year 2010 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett  
  Volume 92 Issue 1 Pages 17004  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We show that in presence of an applied external field the two-component order parameter superconductor falls in two categories of ground states, namely, in the traditional Abrikosov ground state or in a new ground state fitted to describe a superconducting layer with texture, that is, patched regions separated by a phase difference of pi. The existence of these two kinds of ground states follows from the sole assumption that the total supercurrent is the sum of the two individual supercurrents and is independent of any consideration about the free energy expansion. Uniquely defined relations between the current density and the superfluid density hold for these two ground states, which also determine the magnetization in terms of average values of the order parameters. Because these ground-state conditions are also Bogomolny equations we construct the free energy for the two-component superconductor which admits the Bogomolny solution at a special coupling value. Copyright (C) EPLA, 2010  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Paris Editor  
  Language Wos 000284469900027 Publication Date (up) 2010-10-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.957 Times cited 8 Open Access  
  Notes ; ; Approved Most recent IF: 1.957; 2010 IF: 2.753  
  Call Number UA @ lucian @ c:irua:95558 Serial 3584  
Permanent link to this record
 

 
Author Dideykin, A.; Aleksenskiy, A.E.; Kirilenko, D.; Brunkov, P.; Goncharov, V.; Baidakova, M.; Sakseev, D.; Vul', A.Y. pdf  doi
openurl 
  Title Monolayer graphene from graphite oxide Type A1 Journal article
  Year 2011 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater  
  Volume 20 Issue 2 Pages 105-108  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Graphene, a new carbon material, is attracting presently an increasing research interest. It stems from the unique electrical and mechanical properties of graphene predicted by theory. Experimental studies of graphene are, however, severely curtailed by a lack of an appropriate technique for its preparation. Mechanical cleavage of graphite proved to be ineffective, since it yields only very small (a few microns in size) particles of monolayer graphene. The rapidly developing approach based on chemical exfoliation of graphite produces large-area coatings composed primarily of arbitrarily oriented multilayer graphene particles. We have developed a technique for preparation of monolayer graphene sheets involving liquid exfoliation of crystalline graphite, which includes synthesis of graphite oxide by deep oxidation as an intermediate stage. Electron diffraction traces, as well as the variation of diffracted intensities with local orientation of graphene sheets, AFM, and HRTEM images testify to a remarkably good monolayer structure of the graphite oxide particles obtained by our technique. These results open a way to setting up high-efficiency production of monolayer graphene sheets appropriate for electrical and optical measurements and fabrication of structures for use in the field of applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000288145500010 Publication Date (up) 2010-10-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-9635; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.561 Times cited 48 Open Access  
  Notes Approved Most recent IF: 2.561; 2011 IF: 1.913  
  Call Number UA @ lucian @ c:irua:88791 Serial 2193  
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Author Barbier, M.; Vasilopoulos, P.; Peeters, F.M. pdf  doi
openurl 
  Title Single-layer and bilayer graphene superlattices: collimation, additional Dirac points and Dirac lines Type A1 Journal article
  Year 2010 Publication Philosophical transactions of the Royal Society : mathematical, physical and engineering sciences Abbreviated Journal Philos T R Soc A  
  Volume 368 Issue 1932 Pages 5499-5524  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We review the energy spectrum and transport properties of several types of one-dimensional superlattices (SLs) on single-layer and bilayer graphene. In single-layer graphene, for certain SL parameters an electron beam incident on an SL is highly collimated. On the other hand, there are extra Dirac points generated for other SL parameters. Using rectangular barriers allows us to find analytical expressions for the location of new Dirac points in the spectrum and for the renormalization of the electron velocities. The influence of these extra Dirac points on the conductivity is investigated. In the limit of δ-function barriers, the transmission T through and conductance G of a finite number of barriers as well as the energy spectra of SLs are periodic functions of the dimensionless strength P of the barriers, Graphic, with vF the Fermi velocity. For a KronigPenney SL with alternating sign of the height of the barriers, the Dirac point becomes a Dirac line for P = π/2+nπ with n an integer. In bilayer graphene, with an appropriate bias applied to the barriers and wells, we show that several new types of SLs are produced and two of them are similar to type I and type II semiconductor SLs. Similar to single-layer graphene SLs, extra Dirac points are found in bilayer graphene SLs. Non-ballistic transport is also considered.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000283660000011 Publication Date (up) 2010-11-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1364-503X;1471-2962; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.97 Times cited 64 Open Access  
  Notes ; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Canadian NSERC through grant no. OGP0121756. ; Approved Most recent IF: 2.97; 2010 IF: 2.459  
  Call Number UA @ lucian @ c:irua:85597 Serial 3023  
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Author Tkachenko, D.V.; Misko, V.R.; Peeters, F.M. doi  openurl
  Title Effect of correlated noise on quasi-one-dimensional diffusion Type A1 Journal article
  Year 2010 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 82 Issue 5 Pages 051102-051102,5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Single-file diffusion (SFD) of an infinite one-dimensional chain of interacting particles has a long-time mean-square displacement ∝t1/2, independent of the type of interparticle repulsive interaction. This behavior is also observed in finite-size chains, although only for certain intervals of time t depending on the chain length L, followed by the ∝t for t→∞, as we demonstrate for a closed circular chain of diffusing interacting particles. Here, we show that spatial correlation of noise slows down SFD and can result, depending on the amount of correlated noise, in either subdiffusive behavior ∝tα, where 0<α<1/2, or even in a total suppression of diffusion (in the limit N→∞). Spatial correlation can explain the subdiffusive behavior in recent SFD experiments in circular channels.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000283710100001 Publication Date (up) 2010-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.366 Times cited 11 Open Access  
  Notes ; We acknowledge discussions with M. Saint-Jean. This work was supported by the “Odysseus” program of the Flemish Government and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 2.366; 2010 IF: 2.352  
  Call Number UA @ lucian @ c:irua:85799 Serial 806  
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Author Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. pdf  doi
openurl 
  Title Kronig-Penney model of scalar and vector potentials in graphene Type A1 Journal article
  Year 2010 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 22 Issue 46 Pages 465302,1-465302,10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We consider a one-dimensional (1D) superlattice (SL) on graphene consisting of very high and very thin (δ-function) magnetic and potential barriers with zero average potential and zero magnetic field. We calculate the energy spectrum analytically, study it in different limiting cases, and determine the condition under which an electron beam incident on an SL is highly collimated along its direction. In the absence of the magnetic SL the collimation is very sensitive to the value of W/Ws and is optimal for W/Ws = 1, where W is the distance between the positive and negative barriers and L = W + Ws is the size of the unit cell. In the presence of only the magnetic SL the collimation decreases and the symmetry of the spectrum around ky is broken for W/Ws\neq 1 . In addition, a gap opens which depends on the strength of the magnetic field. We also investigate the effect of spatially separated potential and magnetic δ-function barriers and predict a better collimation in specific cases.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000283838800004 Publication Date (up) 2010-11-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 41 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), and the Canadian NSERC Grant No. OGP0121756. ; Approved Most recent IF: 2.649; 2010 IF: 2.332  
  Call Number UA @ lucian @ c:irua:85807 Serial 1767  
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Author Yan, L.; Niu, H.J.; Duong, G.V.; Suchomel, M.R.; Bacsa, J.; Chalker, P.R.; Hadermann, J.; Van Tendeloo, G.; Rosseinsky, M.J. doi  openurl
  Title Cation ordering within the perovskite block of a six-layer Ruddlesden-Popper oxide from layer-by-layer growth artificial interfaces in complex unit cells Type A1 Journal article
  Year 2011 Publication Chemical science Abbreviated Journal Chem Sci  
  Volume 2 Issue 2 Pages 261-272  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The (AO)(ABO3)n Ruddlesden-Popper structure is an archetypal complex oxide consisting of two distinct structural units, an (AO) rock salt layer separating an n-octahedra thick perovskite block. Conventional high-temperature oxide synthesis methods cannot access members with n > 3, but low-temperature layer-by-layer thin film methods allow the preparation of materials with thicker perovskite blocks, exploiting high surface mobility and lattice matching with the substrate. This paper describes the growth of an n = 6 member CaO[(CSMO)2(LCMO)2 (CSMO)2] in which the six unit cell perovskite block is sub-divided into two central La0.67Ca0.33MnO3 (LCMO) and two terminal Ca0.85Sm0.15MnO3 (CSMO) layers to allow stabilization of the rock salt layer and variation of the transition metal charge.  
  Address  
  Corporate Author Thesis  
  Publisher Royal Society of Chemistry Place of Publication Cambridge Editor  
  Language Wos 000286327600010 Publication Date (up) 2010-11-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-6520;2041-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.668 Times cited 16 Open Access  
  Notes Approved Most recent IF: 8.668; 2011 IF: 7.525  
  Call Number UA @ lucian @ c:irua:88652 Serial 300  
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Author Misko, V.R.; Bothner, D.; Kemmler, M.; Kleiner, R.; Koelle, D.; Peeters, F.M.; Nori, F. url  doi
openurl 
  Title Enhancing the critical current in quasiperiodic pinning arrays below and above the matching magnetic flux Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 18 Pages 184512-184512,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Quasiperiodic pinning arrays, as recently demonstrated theoretically and experimentally using a fivefold Penrose tiling, can lead to a significant enhancement of the critical current Ic as compared to traditional regular pinning arrays. However, while regular arrays showed only a sharp peak in Ic(Φ) at the matching flux Φ1 and quasiperiodic arrays provided a much broader maximum at Φ<Φ1, both types of pinning arrays turned out to be inefficient for fluxes larger than Φ1. We demonstrate theoretically and experimentally the enhancement of Ic(Φ) for Φ>Φ1 by using non-Penrose quasiperiodic pinning arrays. This result is based on a qualitatively different mechanism of flux pinning by quasiperiodic pinning arrays and could be potentially useful for applications in superconducting microelectronic devices operating in a broad range of magnetic fields.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000283923400006 Publication Date (up) 2010-11-08  
  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 33 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, the FWO-Vl, and by the DFG via SFB/TRR21. V. R. M. is grateful to the FWO-Vl for the support of the research stay at the DML (ASI, RIKEN), and to F. N. for hospitality. M. K. gratefully acknowledges support from the Carl-Zeiss-Stiftung, and D. B. from the Evangelisches Studienwerk e.V. Villigst. F. N. acknowledges partial support from the Laboratory of Physical Sciences, National Security Agency, Army Research Office, DARPA, AFOSR, National Science Foundation under Grant No. 0726909, JSPS-RFBR under Contract No. 09-02-92114, Grant-in-Aid for Scientific Research (S), MEXT Kakenhi on Quantum Cybernetics, and Funding Program for Innovative R&D on S&T (FIRST). ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:85800 Serial 1066  
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Author Bousige, C.; Rols, S.; Cambedouzou, J.; Verberck, B.; Pekker, S.; Kováts, É.; Durkó, G.; Jalsovsky, I.; Pellegrini, É.; Launois, P. url  doi
openurl 
  Title Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubane C60\centerdot C8H8 Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 19 Pages 195413-195413,10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The dynamics of fullerene-cubane (C60⋅C8H8) cocrystal is studied combining experimental [x-ray diffuse scattering, quasielastic and inelastic neutron scattering (INS)] and simulation (molecular dynamics) investigations. Neutron scattering gives direct evidence of the free rotation of fullerenes and of the libration of cubanes in the high-temperature phase, validating the rotor-stator description of this molecular system. X-ray diffuse scattering shows that orientational disorder survives the order/disorder transition in the low-temperature phase, although the loss of fullerene isotropic rotational diffusion is featured by the appearance of a 2.2 meV mode in the INS spectra. The coupling between INS and simulations allows identifying a degeneracy lift of the cubane librations in the low temperature phase, which is used as a tool for probing the environment of cubane in this phase and for getting further insights into the phase transition mechanism.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000283923500004 Publication Date (up) 2010-11-08  
  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 16 Open Access  
  Notes ; The authors acknowledge P.-A. Albouy and S. Rouziere (LPS, Orsay) for fruitful discussions and for their support during diffuse scattering experiments. Work in Hungary was supported by the Hungarian Research Fund, OTKA under Grant No. K72954. The CS group at the ILL is acknowledged for their support during the MD simulations. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:85801 Serial 1802  
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Author Huyskens, C.; Brauns, E.; van Hoof, E.; Diels, L.; de Wever, H. doi  openurl
  Title Validation of a supervisory control system for energy savings in membrane bioreactors Type A1 Journal article
  Year 2011 Publication Water research Abbreviated Journal  
  Volume 45 Issue 3 Pages 1443-1453  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The application of fixed operational protocols and settings for membrane bioreactors (MBR) often leads to suboptimal filtration conditions due to the dynamic nature of mixed liquor characteristics. With regard to process optimization and energy savings, the potential benefits of a dynamic control system, enabling to adapt fouling control actions (ACS outputs) in an automated way to the actual mixed liquor fouling propensity, are thus obvious. In this paper, the pilot-scale validation of such an advanced control system (ACS) is elaborated. A specific on-line fouling measurement method, the MBR-VFM (VITO Fouling Measurement), was used for the evaluation of the mixed liquors reversible fouling propensity, which was used as a primary ACS input parameter. A first series of tests with a gradual increase in complexity of the selected input and output parameters indicated the functionality of the ACS and demonstrated a substantial reduction of aeration, however sometimes at the expense of a higher fouling rate. The ACS was further fine-tuned and subsequently tested for a longer period under more dynamic operating conditions. A significant correlation was found between the reversible fouling potential measured by the MBR-VFM and the on-line permeability, indicating that the MBR-VFM is a suitable ACS input. Furthermore, an average 22% reduction in aeration flow to the membranes could be achieved without any obvious negative effect on filtration performance. This indicates that this approach is promising to optimize energy consumption in MBRs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000287054500047 Publication Date (up) 2010-11-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0043-1354; 1879-2448 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:88400 Serial 8728  
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Author Esken, D.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Fischer, R.A. pdf  doi
openurl 
  Title Au@ZIFs: stabilization and encapsulation of cavity-size matching gold clusters inside functionalized Zeolite Imidazolate Frameworks, ZIFs Type A1 Journal article
  Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 22 Issue 23 Pages 6393-6401  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The selective formation and stabilization of very small, naked metal particles inside the cavities of metal organic frameworks (MOFs) and the simultaneous realization of an even distribution of the particles throughout the crystalline MOF host matrix over a wide range of metal loading are challenging goals. MOFs reveal high specific surface areas, tunable pore sizes, and organic linkers, which are able to interact with guests. The chemically very robust zeolite imidazolate frameworks (ZIFs) are a subclass of MOFs. We chose the microporous sodalite-like ZIF-8 (Zn(MelM)(2); IM = imidazolate) and ZIF-90 (Zn(ICA)(2); ICA = imidazolate-2-carboxyaldehyde) as host matrices to influence the dispersion of imbedded gold nanoparticles (Au NPs). The metal loading was achieved via gas phase infiltration of [Au(CO)Cl] followed by a thermal hydrogenation step to form the Au NPs. Low-dose high-resolution transmission electron microscopy ((HR)TEM) and electron tomography reveal a homogeneous distribution of Au NPs throughout the ZIF matrix. The functional groups of ZIF-90 direct the anchoring of intermediate Au species and stabilize drastically smaller and quite monodisperse Au NPs in contrast to the parent not functionalized ZIF-8. The particles can be very small, match the cavity size and approach defined molecular clusters of magic numbers, i.e., Au(55), independently from the level of loading. Post-synthetic oxidation of the aldehyde groups to yield alkyl esters by the adjacent, catalytically active metal NPs is presented as a new concept of encapsulating nanoparticles inside MOFs and allows multiple steps of metal loadings without decomposition of the MOF.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000284975100025 Publication Date (up) 2010-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 194 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 9.466; 2010 IF: 6.400  
  Call Number UA @ lucian @ c:irua:95530 Serial 208  
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Author Rubino, S.; Schattschneider, P.; Rusz, J.; Verbeeck, J.; Leifer, K. pdf  doi
openurl 
  Title Simulation of magnetic circular dichroism in the electron microscope Type A1 Journal article
  Year 2010 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 43 Issue 47 Pages 474005,1-474005,11  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract As electron energy-loss spectroscopy (EELS) and x-ray absorption spectroscopy (XAS) probe the same transitions from coreshell states to unoccupied states above the Fermi energy, it should always be possible to apply the two techniques to the same physical phenomena, such as magnetic dichroism, and obtain the same information. Indeed, the similarity in the expression of the electron and x-ray cross-sections had been already exploited to prove the equivalence of x-ray magnetic linear dichroism and anisotropy in EELS, by noting that the polarization vector of a photon plays the same role as the momentum transfer in electron scattering. Recently, the same was proven true for x-ray magnetic circular dichroism (XMCD) by establishing a new TEM technique called EMCD (electron energy-loss magnetic chiral dichroism) (Schattschneider P et al 2006 Nature 441 4868), which makes use of special electron scattering conditions to force the absorption of a circularly polarized virtual photon. The intrinsic advantage of EMCD over XMCD is the high spatial resolution of electron microscopes, which are readily available. Among the particular obstacles in EMCD that do not exist for synchrotron radiation, is the notoriously low signal and the very particular scattering conditions necessary to observe a chiral dichroic signal. In spite of that, impressive progress has been made in recent years. The signal strength could be considerably increased, and some innovations such as using a convergent beam have been introduced. EMCD has evolved into several techniques, which make full use of the versatility of the TEM and energy filtering, spectroscopy or STEM conditions (Rubino S 2007 Magnetic circular dichroism in the transmission electron microscope PhD Thesis Vienna University of Technology, Vienna, Austria).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000284099700006 Publication Date (up) 2010-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 13 Open Access  
  Notes Approved Most recent IF: 2.588; 2010 IF: 2.109  
  Call Number UA @ lucian @ c:irua:85808UA @ admin @ c:irua:85808 Serial 3012  
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Author Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A. doi  openurl
  Title A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation Type A1 Journal article
  Year 2011 Publication Carbon Abbreviated Journal Carbon  
  Volume 49 Issue 3 Pages 1013-1017  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Using self-consistent KohnSham density-functional theory molecular dynamics simulations, we demonstrate the theoretical possibility to synthesize NiC60, the incarfullerene Ni@C60 and the heterofullerene C59Ni in an ion implantation setup. The corresponding formation mechanisms of all three complexes are elucidated as a function of the ion implantation energy and impact location, suggesting possible routes for selectively synthesizing these complexes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000286683500032 Publication Date (up) 2010-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 13 Open Access  
  Notes Approved Most recent IF: 6.337; 2011 IF: 5.378  
  Call Number UA @ lucian @ c:irua:85139 Serial 639  
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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 Easton, Pa Editor  
  Language Wos 000284469300031 Publication Date (up) 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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