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Author Javon, E.; Gaceur, M.; Dachraoui, W.; Margeat, O.; Ackermann, J.; Ilenia Saba, M.; Delugas, P.; Mattoni, A.; Bals, S.; Van Tendeloo, G. pdf  url
doi  openurl
  Title Competing forces in the self-assembly of coupled ZnO nanopyramids Type A1 Journal article
  Year 2015 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 9 Issue 9 Pages 3685-3694  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Self-assembly (SA) of nanostructures has recently gained increasing interest. A clear understanding of the process is not straightforward since SA of nanoparticles is a complex multiscale phenomenon including different driving forces. Here, we study the SA between aluminum doped ZnO nanopyramids into couples by combining inorganic chemistry and advanced electron microscopy techniques with atomistic simulations. Our results show that the SA of the coupled nanopyramids is controlled first by morphology, as coupling only occurs in the case of pyramids with well-developed facets of the basal planes. The combination of electron microscopy and atomistic modeling reveals that the coupling is further driven by strong ligandligand interaction between the bases of the pyramids as dominant force, while screening effects due to Al doping or solvent as well as corecore interaction are only minor contributions. Our combined approach provides a deeper understanding of the complex interplay between the interactions at work in the coupled SA of ZnO nanopyramids.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000353867000030 Publication Date 2015-03-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 21 Open Access OpenAccess  
  Notes Esmi; 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 13.942; 2015 IF: 12.881  
  Call Number c:irua:125978 Serial 434  
Permanent link to this record
 

 
Author Kato, T.; Neyts, E.C.; Abiko, Y.; Akama, T.; Hatakeyama, R.; Kaneko, T. pdf  url
doi  openurl
  Title Kinetics of energy selective Cs encapsulation in single-walled carbon nanotubes for damage-free and position-selective doping Type A1 Journal article
  Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 119 Issue 119 Pages 11903-11908  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A method has been developed for damage-free cesium (Cs) encapsulation within single-walled carbon nanotubes (SWNTs) with fine position selectivity. Precise energy tuning of Cs-ion irradiation revealed that there is a clear energy window (2060 eV) for the efficient encapsulation of Cs through the hexagonal network of SWNT sidewalls without causing significant damage. This minimum energy threshold of Cs-ion encapsulation (∼20 eV) matches well with the value obtained by ab initio simulation (∼22 eV). Furthermore, position-selective Cs encapsulation was carried out, resulting in the successful formation of pn-junction SWNT thin films with excellent environmental stability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000355495600072 Publication Date 2015-05-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 3 Open Access  
  Notes Approved Most recent IF: 4.536; 2015 IF: 4.772  
  Call Number c:irua:125928 Serial 1760  
Permanent link to this record
 

 
Author Borhani, A.H.; Berghmans, H.; Trashin, S.; De Wael, K.; Fago, A.; Moens, L.; Habibi-Rezaei, M.; Dewilde, S. url  doi
openurl 
  Title Kinetic properties and heme pocket structure of two domains of the polymeric hemoglobin of Artemia in comparison with the native molecule Type A1 Journal article
  Year 2015 Publication Biochimica et biophysica acta : proteins and proteomics Abbreviated Journal Bba-Proteins Proteom  
  Volume 1854 Issue 10a Pages 1307-1316  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract In this project, we studied some physicochemical properties of two different globin domains of the polymeric hemoglobin of the brine shrimp Artemia salina and compared them with those of the native molecule. Two domains (AsHbC1D1 and AsHbC1D5) were cloned and expressed in BL21(DE3)pLysS strain of Escherichiacoli. The recombinant proteins as well as the native hemoglobin (AfHb) were purified from bacteria and frozen Artemia, respectively by standard chromatographic methods and assessed by SDS-PAGE. The heme environment of these proteins was studied by optical spectroscopy and ligand-binding kinetics (e.g. CO association and O2 binding affinity) were measured for the two recombinant proteins and the native hemoglobin. This indicates that the CO association rate for AsHbC1D1 is higher than that of AsHbC1D5 and AfHb, while the calculated P50 value for AsHbC1D1 is lower than that of AsHbC1D5 and AfHb. The geminate and bimolecular rebinding parameters indicate a significant difference between both domains. Moreover, EPR results showed that the heme pocket in AfHb is in a more closed conformation than the heme pocket in myoglobin. Finally, the reduction potential of − 0.13 V versus the standard hydrogen electrode was determined for AfHb by direct electrochemical measurements. It is about 0.06 V higher than the potential of the single domain AsHbC1D5. This work shows that each domain in the hemoglobin of Artemia has different characteristics of ligand binding.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000362307500008 Publication Date 2015-05-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1570-9639 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 2.773 Times cited Open Access  
  Notes ; This work was supported by the general grant for visiting scholar of the Ministry of Science, Research and Technology of I. R. Iran and by the University of Antwerp. ; Approved Most recent IF: 2.773; 2015 IF: 2.747  
  Call Number UA @ admin @ c:irua:125909 Serial 5683  
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Author Pilehvar, S.; Gielkens, K.; Trashin, S.A.; Dardenne, F.; Blust, R.; De Wael, K. url  doi
openurl 
  Title (Electro)sensing of phenicol antibiotics : a review Type A1 Journal article
  Year 2016 Publication Critical reviews in food science and nutrition Abbreviated Journal Crit Rev Food Sci  
  Volume 56 Issue 14 Pages 2416-2429  
  Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The presence of residues from frequent antibiotic use in animal feed can cause serious health risks by contaminating products for human consumption such as meat and milk. The present article gives an overview of the electrochemical methods developed for the detection of phenicol antibiotic residues (chloramphenicol, thiamphenicol, and florfenicol) in different kinds of foodstuffs. Electrochemical sensors based on different biomolecules and nanomaterials are described. The detection limit of various developed methods with their advantages and disadvantage will be highlighted.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000382757200015 Publication Date 2015-04-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1040-8398 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.077 Times cited 13 Open Access  
  Notes ; The authors are highly thankful for the University of Antwerp Grants (DOCPRO/ IWS). ; Approved Most recent IF: 6.077  
  Call Number UA @ admin @ c:irua:125663 Serial 5585  
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Author Quan Manh, P.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. doi  openurl
  Title Atomic layer deposition of Ruthenium on Ruthenium surfaces : a theoretical study Type A1 Journal article
  Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 119 Issue 119 Pages 6592-6603  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Atomic, layer deposition,(ALD of ruthenium using two ruthenium precursors, i.e., Ru(C5H5)(2) (RuCp2) and Ru(C5H5)(C4H4N) (RuCpPy), is studied using density functional theory. By investigating the reaction mechanisms On bare ruthenium surfaces, i.e., (001), (101), and (100), and H-terminated surfaces, an atomistic insight in the Ru ALD is provided. The calculated results show that on the Ru surfaces both RuCp2 and RuCpPy an undergo dehydrogenation and ligand dissociation reactions. RuCpPy is more reactive than RuCp2. By forming a, strong, bond between N of Py and Ru of the surface, RuCpPy can easily chemisorb on the surfaces. The reactions of RuCp2,On the Surfaces are less favorable the adsorption is not strong enough This could be a,factor contributing to the higher growth-per-cycle of Ru using RuCpPy, as observed experimentally. By Studying, the adsorption on H-terminated Ru surfaces, We showed that H Can prevent the adsorption of the precursors, thus inhibiting the growth of Ru. Our calculations indicate that the H content on the surface can have an impact on the growth-per-cycle. Finally, our simulations also demonstrate large impacts of the surface structure on the reaction mechanisms. Of the three surfaces, the (100) surface, which is the less stable and has a zigzag surface structure, is also the most reactive one.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000351970800015 Publication Date 2015-03-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447;1932-7455; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 10 Open Access  
  Notes Approved Most recent IF: 4.536; 2015 IF: 4.772  
  Call Number c:irua:125544 Serial 171  
Permanent link to this record
 

 
Author Croitoru, M.D.; Buzdin, A.I. pdf  doi
openurl 
  Title FFLO-wave-vector lock-in effect in quasi-1D superconductors Type A1 Journal article
  Year 2015 Publication Journal of superconductivity and novel magnetism Abbreviated Journal J Supercond Nov Magn  
  Volume 28 Issue 28 Pages 1305-1308  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the phase transition into the Fulde-Ferrell-Larkin-Ovchinnikov state in high magnetic field in quasi-one dimensional superconductors within the quasi-classical formalism, taking into account the interchain Josephson coupling and the paramagnetic spin splitting. We show that anomalies in the field-direction dependence of the upper critical field when the magnetic field length equals to the FFLO period, previously described in [29], are characterized by the lock-in effect of the FFLO modulation wave vector, which is governed by the magnetic length.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000352085700019 Publication Date 2014-12-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1557-1939;1557-1947; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.18 Times cited 4 Open Access  
  Notes ; We thank D. Jerome for useful discussions. We acknowledge the support by the French ANR program “ElectroVortex” and European NanoSC COST Action MP1201. M.D.C. acknowledges the support by the BELSPO Return to Belgium Grant. ; Approved Most recent IF: 1.18; 2015 IF: 0.909  
  Call Number c:irua:125540 Serial 1187  
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Author Chen, J.-J.; Ke, X.; Van Tendeloo, G.; Meng, J.; Zhou, Y.-B.; Liao, Z.-M.; Yu, D.-P. pdf  doi
openurl 
  Title Magnetotransport across the metal-graphene hybrid interface and its modulation by gate voltage Type A1 Journal article
  Year 2015 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 7 Issue 7 Pages 5516-5524  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The graphene-metal contact is very important for optimizing the performance of graphene based electronic devices. However, it is difficult to probe the properties of the graphene/metal interface directly via transport measurements in traditional graphene lateral devices, because the dominated transport channel is graphene, not the interface. Here, we employ the Au/graphene/Au vertical and lateral hybrid structure to unveil the metal-graphene interface properties, where the transport is dominated by the charge carriers across the interface. The magnetoresistance (MR) of Au/monolayer graphene/Au and Au/stacked two-layered graphene/Au devices is measured and modulated by gate voltage, demonstrating that the interface is a device. The gate-tunable MR is identified from the graphene lying on the SiO2 substrate and underneath the top metal electrode. Our unique structures couple the in-plane and out-of-plane transport and display linear MR with small amplitude oscillations at low temperatures. Under a magnetic field, the electronic coupling between the graphene edge states and the electrode leads to the appearance of quantum oscillations. Our results not only provide a new pathway to explore the intrinsic transport mechanism at the graphene/metal interface but also open up new vistas of magnetoelectronics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000351372400050 Publication Date 2015-02-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364;2040-3372; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 3 Open Access  
  Notes 246791 Countatoms Approved Most recent IF: 7.367; 2015 IF: 7.394  
  Call Number c:irua:125533 Serial 1931  
Permanent link to this record
 

 
Author Zalipaev, V.; Linton, C.M.; Croitoru, M.D.; Vagov, A. url  doi
openurl 
  Title Resonant tunneling and localized states in a graphene monolayer with a mass gap Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 085405  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study tunneling of quasiparticles through potential barriers in a graphene monolayer with the mass gap using a semiclassical (WKB) approach. The main equations are derived in away similar to the WKB theory for the Schrodinger equation, which allows for explicit solutions at all orders. The analog of the classical action is used to distinguish types of possible stationary states in the system. The analysis focuses on the resonant scattering and the hole states localized in the vicinity of a barrier that are often overlooked. The scattering coefficients for the physically interesting limits are obtained by matching the WKB approximation with the known solutions at turning points. The localized states demonstrate unconventional properties and lead to alterations of the single particle density of states.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000351773900004 Publication Date 2015-02-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 3 Open Access  
  Notes ; M.D.C. acknowledges the Belgian Science Policy (BELSPO Back to Belgium Grant). ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:125523 Serial 2891  
Permanent link to this record
 

 
Author Samani, M.K.; Ding, X.Z.; Khosravian, N.; Amin-Ahmadi, B.; Yi, Y.; Chen, G.; Neyts, E.C.; Bogaerts, A.; Tay, B.K. pdf  doi
openurl 
  Title Thermal conductivity of titanium nitride/titanium aluminum nitride multilayer coatings deposited by lateral rotating cathode arc Type A1 Journal article
  Year 2015 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films  
  Volume 578 Issue 578 Pages 133-138  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A seriesof [TiN/TiAlN]nmultilayer coatingswith different bilayer numbers n=5, 10, 25, 50, and 100 were deposited on stainless steel substrate AISI 304 by a lateral rotating cathode arc technique in a flowing nitrogen atmosphere. The composition and microstructure of the coatings have been analyzed by using energy dispersive X-ray spectroscopy, X-ray diffraction (XRD), and conventional and high-resolution transmission electron microscopy (HRTEM). XRD analysis shows that the preferential orientation growth along the (111) direction is reduced in the multilayer coatings. TEM analysis reveals that the grain size of the coatings decreases with increasing bilayer number. HRTEMimaging of the multilayer coatings shows a high density misfit dislocation between the TiN and TiAlN layers. The cross-plane thermal conductivity of the coatings was measured by a pulsed photothermal reflectance technique. With increasing bilayer number, the multilayer coatings' thermal conductivity decreases gradually. This reduction of thermal conductivity can be ascribed to increased phonon scattering due to the disruption of columnar structure, reduced preferential orientation, decreased grain size of the coatings and present misfit dislocations at the interfaces.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000351686500019 Publication Date 2015-02-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0040-6090; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.879 Times cited 41 Open Access  
  Notes Approved Most recent IF: 1.879; 2015 IF: 1.759  
  Call Number c:irua:125517 Serial 3626  
Permanent link to this record
 

 
Author Leenaerts, O.; Schoeters, B.; Partoens, B. url  doi
openurl 
  Title Stable kagome lattices from group IV elements Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 115202  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A thorough investigation of three-dimensional kagome lattices of group IV elements is performed with first-principles calculations. The investigated kagome lattices of silicon and germanium are found to be of similar stability as the recently proposed carbon kagome lattice. Carbon and silicon kagome lattices are both direct-gap semiconductors but they have qualitatively different electronic band structures. While direct optical transitions between the valence and conduction bands are allowed in the carbon case, no such transitions can be observed for silicon. The kagome lattice of germanium exhibits semimetallic behavior but can be transformed into a semiconductor after compression.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000351900700003 Publication Date 2015-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 12 Open Access  
  Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government – department EWI. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:125516 Serial 3144  
Permanent link to this record
 

 
Author Juchtmans, R.; Béché, A.; Abakumov, A.; Batuk, M.; Verbeeck, J. url  doi
openurl 
  Title Using electron vortex beams to determine chirality of crystals in transmission electron microscopy Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 094112  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We investigate electron vortex beams elastically scattered on chiral crystals. After deriving a general expression for the scattering amplitude of a vortex electron, we study its diffraction on point scatterers arranged on a helix. We derive a relation between the handedness of the helix and the topological charge of the electron vortex on one hand and the symmetry of the higher-order Laue zones in the diffraction pattern on the other for kinematically and dynamically scattered electrons. We then extend this to atoms arranged on a helix as found in crystals which belong to chiral space groups and propose a method to determine the handedness of such crystals by looking at the symmetry of the diffraction pattern. In contrast to alternative methods, our technique does not require multiple scattering, which makes it possible to also investigate extremely thin samples in which multiple scattering is suppressed. In order to verify the model, elastic scattering simulations are performed, and an experimental demonstration on Mn2Sb2O7 is given in which we find the sample to belong to the right-handed variant of its enantiomorphic pair. This demonstrates the usefulness of electron vortex beams to reveal the chirality of crystals in a transmission electron microscope and provides the required theoretical basis for further developments in this field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000352017000002 Publication Date 2015-03-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 54 Open Access  
  Notes Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra1; esteem2jra2 ECASJO_; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:125512 c:irua:125512 Serial 3825  
Permanent link to this record
 

 
Author Struzzi, C.; Erbahar, D.; Scardamaglia, M.; Amati, M.; Gregoratti, L.; Lagos; Van Tendeloo, G.; Snyders, R.; Ewels, C.; Bittencourt, C. doi  openurl
  Title Selective decoration of isolated carbon nanotubes by potassium evaporation : scanning photoemission microscopy and density functional theory Type A1 Journal article
  Year 2015 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C  
  Volume 3 Issue 3 Pages 2518-2527  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Site selective doping of aligned carbon nanostructures represents a promising approach for their implementation in actual devices. In the present work we report on alkali metals decoration on low density vertically aligned carbon nanotubes, disclosing the possibility of engineering site selective depositions of potassium atoms on the carbon systems. Photoemission measurements were combined with microscopy demonstrating the effective spatial control of alkali deposition. The changes of electronic structures of locally doped carbon regions were studied by exploiting the ability of the scanning photoemission microscopy technique. From the analysis of experimental data supported by theoretical calculations, we show the tuning of the charge transfer from potassium to carbon atoms belonging to neighboring nanotubes or along the same tube structure.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350984200011 Publication Date 2014-12-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7526;2050-7534; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.256 Times cited 6 Open Access  
  Notes Approved Most recent IF: 5.256; 2015 IF: 4.696  
  Call Number c:irua:125496 Serial 2963  
Permanent link to this record
 

 
Author Vandersteen, G.; Schneidewind, U.; Anibas, C.; Schmidt, C.; Seuntjens, P.; Batelaan, O. doi  openurl
  Title Determining groundwater-surface water exchange from temperature-time series : combining a local polynomial method with a maximum likelihood estimator Type A1 Journal article
  Year 2015 Publication Water resources research Abbreviated Journal  
  Volume 51 Issue 2 Pages 922-939  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The use of temperature-time series measured in streambed sediments as input to coupled water flow and heat transport models has become standard when quantifying vertical groundwater-surface water exchange fluxes. We develop a novel methodology, called LPML, to estimate the parameters for 1-D water flow and heat transport by combining a local polynomial (LP) signal processing technique with a maximum likelihood (ML) estimator. The LP method is used to estimate the frequency response functions (FRFs) and their uncertainties between the streambed top and several locations within the streambed from measured temperature-time series data. Additionally, we obtain the analytical expression of the FRFs assuming a pure sinusoidal input. The estimated and analytical FRFs are used in an ML estimator to deduce vertical groundwater-surface water exchange flux and its uncertainty as well as information regarding model quality. The LPML method is tested and verified with the heat transport models STRIVE and VFLUX. We demonstrate that the LPML method can correctly reproduce a priori known fluxes and thermal conductivities and also show that the LPML method can estimate averaged and time-variable fluxes from periodic and nonperiodic temperature records. The LPML method allows for a fast computation of exchange fluxes as well as model and parameter uncertainties from many temperature sensors. Moreover, it can utilize a broad frequency spectrum beyond the diel signal commonly used for flux calculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000351401200009 Publication Date 2014-12-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0043-1397; 0043-137x ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:125492 Serial 7797  
Permanent link to this record
 

 
Author Berdiyorov, G.; Harrabi, K.; Maneval, J.P.; Peeters, F.M. url  doi
openurl 
  Title Effect of pinning on the response of superconducting strips to an external pulsed current Type A1 Journal article
  Year 2015 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 28 Issue 28 Pages 025004  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the anisotropic time-dependent Ginzburg-Landau theory we study the effect of ordered and disordered pinning on the time response of superconducting strips to an external current that switched on abruptly. The pinning centers result in a considerable delay of the response time of the system to such abrupt switching on of the current, whereas the output voltage is always larger when pinning is present. The resistive state in both cases are characterized either by dynamically stable phase-slip centers/lines or expanding in-time hot-spots, which are the main mechanisms for dissipation in current-carrying superconductors. We find that hot-spots are always initiated by the phase-slip state. However, the range of the applied current for the phase-slip state increases significantly when pinning is introduced. Qualitative changes are observed in the dynamics of the superconducting condensate in the presence of pinning.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000351046300010 Publication Date 2014-12-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048;1361-6668; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited 19 Open Access  
  Notes ; This work was supported by EU Marie Curie (Project No: 253057), the Flemish Science Foundation (FWO-Vl) and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; Approved Most recent IF: 2.878; 2015 IF: 2.325  
  Call Number c:irua:125491 Serial 829  
Permanent link to this record
 

 
Author Yang, S.; Wang, C.; Sahin, H.; Chen, H.; Li, Y.; Li, S.S.; Suslu, A.; Peeters, F.M.; Liu, Q.; Li, J.; Tongay, S.; doi  openurl
  Title Tuning the optical, magnetic, and electrical properties of ReSe2 by nanoscale strain engineering Type A1 Journal article
  Year 2015 Publication Nano letters Abbreviated Journal Nano Lett  
  Volume 15 Issue 15 Pages 1660-1666  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Creating materials with ultimate control over their physical properties is vital for a wide range of applications. From a traditional materials design perspective, this task often requires precise control over the atomic composition and structure. However, owing to their mechanical properties, low-dimensional layered materials can actually withstand a significant amount of strain and thus sustain elastic deformations before fracture. This, in return, presents a unique technique for tuning their physical properties by strain engineering. Here, we find that local strain induced on ReSe2, a new member of the transition metal dichalcogenides family, greatly changes its magnetic, optical, and electrical properties. Local strain induced by generation of wrinkle (1) modulates the optical gap as evidenced by red-shifted photoluminescence peak, (2) enhances light emission, (3) induces magnetism, and (4) modulates the electrical properties. The results not only allow us to create materials with vastly different properties at the nanoscale, but also enable a wide range of applications based on 2D materials, including strain sensors, stretchable electrodes, flexible field-effect transistors, artificial-muscle actuators, solar cells, and other spintronic, electromechanical, piezoelectric, photonic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington Editor  
  Language Wos 000351188000033 Publication Date 2015-02-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984;1530-6992; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 314 Open Access  
  Notes ; This work is supported by Arizona State University, Research Seeding Program, the National Natural Science Foundation of China (91233120), and the National Basic Research Program of China (2011CB921901). Q., Liu acknowledges the support to this work by NSFC (10974037), NBRPC (2010CB934102), and the CAS Strategy Pilot program (XDA 09020300). S. Yang acknowledges financial support from China Postdoctoral Science Foundation (No. 2013M540127). ; Approved Most recent IF: 12.712; 2015 IF: 13.592  
  Call Number c:irua:125480 Serial 3758  
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Author Alfeld, M.; Janssens, K. url  doi
openurl 
  Title Strategies for processing mega-pixel X-ray fluorescence hyperspectral data: a case study on a version of Caravaggio's painting Supper at Emmaus Type A1 Journal article
  Year 2015 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 30 Issue 3 Pages 777-789  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Technical progress in the fields of X-ray sources, optics and detectors is constantly enhancing the pace of data acquisition in XRF imaging. This enlarges the size of the hyperspectral datasets and the number of their sub-parts. This paper describes the challenges in processing large XRF datasets featuring several million pixels/spectra and the strategies developed to overcome them. During the investigation of historical paintings by scanning macro-XRF the main challenges are the correct identification of all spectral features in a dataset and its timely processing. For the identification of spectral features different approaches are discussed, i.e. the use of sum spectra, maximum pixel spectra and of chi(2)(r) maps. For the time-efficient, artefact-free evaluation of XRF imaging data, different software packages are evaluated and intercompared (AXIL, PyMCA, GeoPIXE and the in-house written datamuncher). The process of data evaluation is illustrated on a large dataset (3.4 MPixels) acquired during the investigation of a version of Caravaggio's Supper at Emmaus (143 x 199.5 cm(2)). This 17th century painting is currently the largest object entirely scanned with macroscopic XRF.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350650800026 Publication Date 2015-02-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 67 Open Access  
  Notes ; The authors would like to thank W. de Nolf, A. Rothkirch, C. Ryan, A. Sole, B. Vekemans, P. van Espen and L. Vincze for their fruitful discussions over the years. Furthermore, the authors thank D. Swetzoff for his support. M. Alfeld was from 2009 to 2013 the recipient of a Ph.D. fellowship of the Research Foundation-Flanders (FWO, Brussels). ; Approved Most recent IF: 3.379; 2015 IF: 3.466  
  Call Number UA @ admin @ c:irua:125477 Serial 5848  
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Author Nuyts, G.; Cagno, S.; Bugani, S.; Janssens, K. url  doi
openurl 
  Title Micro-XANES study on Mn browning: use of quantitative valence state maps Type A1 Journal article
  Year 2015 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 30 Issue 3 Pages 642-650  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Historical glass, especially non-durable medieval glass, can undergo corrosion. This sometimes results in the formation of dark-coloured manganese-rich inclusions that reduce the transparency of the glass. While unaltered bulk glass contains manganese mainly present in the +II valence state, inside the inclusions Mn is present in higher valence states (+III to +IV). Two different strategies may be considered by conservators when aiming to improve the transparency. One is based on the reduction of highly oxidised black/brown compounds using mildly reducing solutions, while the other focuses more on the extraction of manganese from the inclusions by the application of chelating agents. In this paper, a method for quantitative mapping of the Mn speciation inside partially corroded historical windowpanes based on X-Ray Absorption Near-Edge Structure (XANES) spectroscopy is discussed. The calibration of such Mn valence state maps based on the combo method, a fairly reliable way to determine the oxidation state, is described in more detail. This method is used to evaluate the effect of reducing treatments on historical glass, dated to the 14th century and originating from Sidney Sussex College (Cambridge, UK), suffering from Mn browning. Glasses were examined by means of Synchrotron Radiation (SR) based microscopic X-Ray Absorption Near-Edge Structure (mXANES) spectroscopy and microscopic X-Ray Fluorescence (mXRF). X-Ray elemental distribution maps of glass cross-sections are recorded at different energies, while Mn K-edge spectra are used to convert these into Mn valence state (VS) maps. Such valence state maps will allow evaluation of a reducing treatment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350650800009 Publication Date 2015-02-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 8 Open Access  
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme Belgian Science Policy (IUAP VI/16) and partially by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/ F50. The text also presents results of Center of Excellence AGRECHEM (Research Fund University of Antwerp, Belgium) and from the Fund for Scientific Research (FWO, Brussels, Belgium) projects no. G.0C12.13 and G.01769.09. We gratefully acknowledge ESRF for granting beamtime (experiment EC768) and the beamline scientists of ID21 for their support. The authors also want to thank Leonie Seliger of Canterbury Cathedral, UK, the Sidney Sussex College Council and Bursar Charles Larkum for providing the archaeological samples of the Franciscan Friary which are kept in store for Sidney Sussex College in Cambridge (UK). ; Approved Most recent IF: 3.379; 2015 IF: 3.466  
  Call Number UA @ admin @ c:irua:125476 Serial 5719  
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Author Monico, L.; Janssens, K.; Alfeld, M.; Cotte, M.; Vanmeert, F.; Ryan, C.G.; Falkenberg, G.; Howard, D.L.; Brunetti, B.G.; Miliani, C. url  doi
openurl 
  Title Full spectral XANES imaging using the Maia detector array as a new tool for the study of the alteration process of chrome yellow pigments in paintings by Vincent van Gogh Type A1 Journal article
  Year 2015 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 30 Issue 3 Pages 613-626  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract A combination of synchrotron radiation (SR) micro X-ray fluorescence (m-XRF) and XRF mode X-ray absorption near edge structure (XANES) measurements at the Cr K-edge already allowed us to establish that the photo-reduction of chromates to Cr(III) compounds is the cause of darkening of chrome yellow pigments (PbCr1-xSxO4, 0 <= x <= 0.8) in a number of paintings by Vincent van Gogh and in corresponding artificially aged paint models. A silicon drift detector (SDD) was employed to record the Cr-K XRF radiation in these X-ray micro beam-based measurements. However, in view of the limited count rate capabilities and collection solid angle of a single device, m-XRF and m-XANES employing single element SDDs (or similar) are primarily suited for collection of spectral data from individual points. Additionally, collection of XRF maps via point-by-point scanning with relatively long dwell times per point is possible but is usually confined to small areas. The development of the 384 silicon-diode array Maia XRF detector has provided valuable solutions in terms of data acquisition rate, allowing for full spectral (FS) XANES imaging in XRF mode, i.e., where spectroscopic information is available at each pixel in the scanned map. In this paper, the possibilities of SR Cr K-edge FS-XANES imaging in XRF mode using the Maia detector are examined as a new data collection strategy to study the speciation and distribution of alteration products of lead chromate-based pigments in painting materials. The results collected from two micro-samples taken from two Van Gogh paintings and an aged paint model show the possibility to perform FS-XANES imaging in practical time frames (from several minutes to a few hours) by scanning regions of sample sizes of the same order (more than 500 mm). The sensitivity and capabilities of FS-XANES imaging in providing representative chemical speciation information at the microscale (spatial resolution from similar to 2 to 0.6 mm) over the entire scanned area are demonstrated by the identification of Cr(OH) 3, Cr(III) sulfates and/or Cr(III) organometallic compounds in the corresponding phase maps, as alteration products. Comparable Cr-speciation results were obtained by performing equivalent higher spatial resolution SR m-XRF/single-point m-XANES analysis using a more conventional SDD from smaller regions of interest of each sample. Thus, large-area XRF mode FS-XANES imaging (Maia detector) is here proposed as a valuable and complementary data collection strategy in relation to “ zoomed-in” high-resolution m-XRF mapping and single-point m-XANES analysis (SDD).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350650800006 Publication Date 2014-12-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 28 Open Access  
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme – Belgian Science Policy (S2-ART project S4DA), GOA “SOLARPAINT” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) project no. G.0C12.13, G.0704.08 and G.01769.09. Support from the Italian projects PRIN (SICH Sustainability in Cultural Heritage: from diagnosis to the development of innovative system for consolidation, cleaning and protection) and PON (ITACHA Italian advanced technologies for cultural heritage applications) is also acknowledged. For the grants received thanks are expressed to ESRF (experiments EC-799, EC-1051) and DESY (experiment H-20000043). Part of this research was undertaken at the XFM beamline at the Australian Synchrotron, Victoria, Australia (experiment M4604). LM acknowledges the CNR for the financial support received in the framework of the Short Term Mobility Programme 2013. Thanks are expressed to Ella Hendriks (Van Gogh Museum, Amsterdam), Muriel Geldof (Cultural Heritage Agency of The Netherlands) and Margje Leeuwestein (Kroller-Muller Museum, Otterlo) for selecting and sharing the information on the cross-section taken from the paintings The Bedroom and Falling Leaves (Les Alyscamps). All the staff of the Van Gogh Museum and the Kroller-Muller Museum are acknowledged for their agreeable cooperation. ; Approved Most recent IF: 3.379; 2015 IF: 3.466  
  Call Number UA @ admin @ c:irua:125475 Serial 5628  
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Author Radepont, M.; Coquinot, Y.; Janssens, K.; Ezrati, J.-J.; de Nolf, W.; Cotte, M. url  doi
openurl 
  Title Thermodynamic and experimental study of the degradation of the red pigment mercury sulfide Type A1 Journal article
  Year 2015 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom  
  Volume 30 Issue 3 Pages 599-612  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract The red pigment mercury sulfide, called cinnabar or vermilion, is well known to suffer from an alteration giving rise to a grey, grey-white or black color at the surface of degraded works of art. This phenomenon can dramatically affect the esthetical value of artworks. This work aims at assessing the factors (light, halides) influencing the instability of red mercury sulfide and understanding (by combining thermodynamic and experimental approaches) the chemical equilibria governing the formation and evolution of the different degradation compounds. From the thermodynamic study of the Hg-S-Cl-H2O system, it was concluded that Hg(0), Hg3S2Cl2, and Hg2Cl2 can be formed from the reaction of alpha-HgS with ClO(g). In the second part, the artificial ageing experiments presented were carried out on model samples following the conditions assessed in the first part, in order to reproduce natural ageing observed on red mercury sulfide. Similarly to degradation compounds detected on original works of art, mercury chlorine compounds such as calomel (Hg2Cl2) and corderoite (alpha-Hg3S2Cl2) were identified on the surface of alpha-HgS model samples, when exposed to light and a sodium hypochlorite solution. Sulfates were detected as well, and more particularly gypsum (CaSO4 center dot 2H(2)O) when Ca was originally present in the model sample. The relationship between color and composition is discussed as well.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350650800005 Publication Date 2015-01-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0267-9477 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.379 Times cited 26 Open Access  
  Notes ; The authors gratefully acknowledge the ESRF for granting beamtime under proposal no. EC720. Michel Dubus is thanked for providing precious advices concerning ageing protocols. This research was supported by Belgian Science Policy project S2-ART (BELSPO S4DA), the GOA “SOLARPAINT” (Research Fund University of Antwerp, Belgium) and FWO (Brussels, Belgium) projects no. G.0C12.13, G.0704.08 and G.01769.09. ; Approved Most recent IF: 3.379; 2015 IF: 3.466  
  Call Number UA @ admin @ c:irua:125474 Serial 5877  
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Author McCalla, E.; Abakumov, A.; Rousse, G.; Reynaud, M.; Sougrati, M.T.; Budic, B.; Mahmoud, A.; Dominko, R.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.; doi  openurl
  Title Novel complex stacking of fully-ordered transition metal layers in Li4FeSbO6 materials Type A1 Journal article
  Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 27 Issue 27 Pages 1699-1708  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract As part of a broad project to explore Li4MM'O-6 materials (with M and M' being selected from a wide variety of metals) as positive electrode materials for Li-ion batteries, the structures of Li4FeSbO6 materials with both stoichiometric and slightly deficient lithium contents are studied here. For lithium content varying from 3.8 to 4.0, the color changes from yellow to black and extra superstructure peaks are seen in the XRD patterns. These extra peaks appear as satellites around the four superstructure peaks affected by the stacking of the transition metal atoms. Refinements of both XRD and neutron scattering patterns show a nearly perfect ordering of Li, Fe, and Sb in the transition metal layers of all samples, although these refinements must take the stacking faults into account in order to extract information about the structure of the TM layers. The structure of the most lithium rich sample, where the satellite superstructure peaks are seen, was determined with the help of HRTEM, XRD, and neutron scattering. The satellites arise due to a new stacking sequence where not all transition metal layers are identical but instead two slightly different compositions stack in an AABB sequence giving a unit cell that is four times larger than normal for such monoclinic layered materials. The more lithium deficient samples are found to contain metal site vacancies based on elemental analysis and Mossbauer spectroscopy results. The significant changes in physical properties are attributed to the presence of these vacancies. This study illustrates the great importance of carefully determining the final compositions in these materials, as very small differences in compositions may have large impacts on structures and properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350919000032 Publication Date 2015-02-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756;1520-5002; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 22 Open Access  
  Notes Approved Most recent IF: 9.466; 2015 IF: 8.354  
  Call Number c:irua:125469 Serial 2373  
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Author Garcia, J.H.; Covaci, L.; Rappoport, T.G. url  doi
openurl 
  Title Real-space calculation of the conductivity tensor for disordered topological matter Type A1 Journal article
  Year 2015 Publication Physical review letters Abbreviated Journal Phys Rev Lett  
  Volume 114 Issue 114 Pages 116602  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We describe an efficient numerical approach to calculate the longitudinal and transverse Kubo conductivities of large systems using Bastin's formulation. We expand the Green's functions in terms of Chebyshev polynomials and compute the conductivity tensor for any temperature and chemical potential in a single step. To illustrate the power and generality of the approach, we calculate the conductivity tensor for the quantum Hall effect in disordered graphene and analyze the effect of the disorder in a Chern insulator in Haldane's model on a honeycomb lattice.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000351430600010 Publication Date 2015-03-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0031-9007;1079-7114; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.462 Times cited 69 Open Access  
  Notes ; We acknowledge A. R. Hernandez, A. Ferreira, and E. Mucciolo for discussions. T. G. R and J. H. G acknowledge the Brazilian agencies CNPq, FAPERJ, and INCT de Nanoestruturas de Carbono for financial support. L. C. acknowledges the Flemish Science Foundation (FWO-Vlaanderen) for financial support. ; Approved Most recent IF: 8.462; 2015 IF: 7.512  
  Call Number c:irua:125467 Serial 2827  
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Author Chen, Y.; Hong-Yu, W.; Peeters, F.M.; Shanenko, A.A. pdf  doi
openurl 
  Title Quantum-size effects and thermal response of anti-Kramer-Pesch vortex core Type A1 Journal article
  Year 2015 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 27 Issue 27 Pages 125701  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Since the 1960's it has been well known that the basic superconductive quantities can exhibit oscillations as functions of the thickness (diameter) in superconducting nanofilms (nanowires) due to the size quantization of the electronic spectrum. However, very little is known about the effects of quantum confinement on the microscopic properties of vortices. Based on a numerical solution to the Bogoliubov-de Gennes equations, we study the quantum-size oscillations of the vortex core resulting from the sequential interchange of the Kramer-Pesch and anti-Kramer-Pesch regimes with changing nanocylinder radius. The physics behind the anti-Kramer-Pesch anomaly is displayed by utilizing a semi-analytical Anderson approximate solution. We also demonstrate that the anti-Kramer-Pesch vortex core is robust against thermal smearing and results in a distinctive two-maxima structure in the local density of states, which can be used to identify the existence of the anti-Kramer-Pesch vortex.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000351294700018 Publication Date 2015-03-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 4 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China under Grant No. NSFC-11304134, the Flemish Science Foundation (FWO-Vl), and the Methusalem program. AAS acknowledges the support of the Brazilian agencies CNPq (grants 307552/2012-8 and 141911/2012-3) and FACEPE (APQ-0589-1.05/08). WHY acknowledges the support of Scientific Research Fund of Zhejiang Provincial Education Department (Y201120994). ; Approved Most recent IF: 2.649; 2015 IF: 2.346  
  Call Number c:irua:125460 Serial 2787  
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Author Kaminsky, F.V.; Ryabchikov, I.D.; McCammon, C.A.; Longo, M.; Abakumov, A.M.; Turner, S.; Heidari, H. pdf  doi
openurl 
  Title Oxidation potential in the Earth's lower mantle as recorded by ferropericlase inclusions in diamond Type A1 Journal article
  Year 2015 Publication Earth and planetary science letters Abbreviated Journal Earth Planet Sc Lett  
  Volume 417 Issue 417 Pages 49-56  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Ferropericlase (fPer) inclusions from kimberlitic lower-mantle diamonds recovered in the Juina area, Mato Grosso State, Brazil were analyzed with transmission electron microscopy, electron energy-loss spectroscopy and the flank method. The presence of exsolved non-stoichiometric Fe3+-enriched clusters, varying in size from 1-2 nm to 10-15 nm and comprising similar to 3.64 vol.% of fPer was established. The oxidation conditions necessary for fPer formation within the uppermost lower mantle (P = 25 GPa, T = 1960 K) vary over a wide range: Delta log f(o2) (IW) from 1.58 to 7.76 (Delta = 6.2), reaching the fayalite-magnetite-quartz (FMQ) oxygen buffer position. This agrees with the identification of carbonates and free silica among inclusions within lower-mantle Juina diamonds. On the other hand, at the base of the lower mantle Delta log f(o2) values may lie at and below the iron-wustite (IW) oxygen buffer. Hence, the variations of Delta log f(o2) values within the entire sequence of the lower mantle may reach ten logarithmic units, varying from the IW buffer to the FMQ buffer values. The similarity between lower- and upper-mantle redox conditions supports whole mantle convection, as already suggested on the basis of nitrogen and carbon isotopic compositions in lower- and upper-mantle diamonds. The mechanisms responsible for redox differentiation in the lower mantle may include subduction of oxidized crustal material, mechanical separation of metallic phase(s) and silicate-oxide mineral assemblages enriched in ferric iron, as well as transfer of fused silicate-oxide material presumably also enriched in ferric iron through the mantle. (C) 2015 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000351799400006 Publication Date 2015-03-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0012-821X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.409 Times cited 23 Open Access  
  Notes Approved Most recent IF: 4.409; 2015 IF: 4.734  
  Call Number c:irua:125451 Serial 2539  
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Author Leus, K.; Concepcion, P.; Vandichel, M.; Meledina, M.; Grirrane, A.; Esquivel, D.; Turner, S.; Poelman, D.; Waroquier, M.; Van Speybroeck, V.; Van Tendeloo, G.; García, H.; Van Der Voort, P.; pdf  doi
openurl 
  Title Au@UiO-66 : a base free oxidation catalyst Type A1 Journal article
  Year 2015 Publication RSC advances Abbreviated Journal Rsc Adv  
  Volume 5 Issue 5 Pages 22334-22342  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We present the in situ synthesis of Au nanoparticles within the Zr based Metal Organic Framework, UiO-66. The resulting Au@UiO-66 materials were characterized by means of N-2 sorption, XRPD, UV-Vis, XRF, XPS and TEM analysis. The Au nanoparticles (NP) are homogeneously distributed along the UiO-66 host matrix when using NaBH4 or H-2 as reducing agents. The Au@UiO-66 materials were evaluated as catalysts in the oxidation of benzyl alcohol and benzyl amine employing O-2 as oxidant. The Au@MOF materials exhibit a very high selectivity towards the ketone (up to 100%). Regenerability and stability tests demonstrate that the Au@UiO-66 catalyst can be recycled with a negligible loss of Au species and no loss of crystallinity. In situ IR measurements of UiO-66 and Au@UiO-66-NaBH4, before and after treatment with alcohol, showed an increase in IR bands that can be assigned to a combination of physisorbed and chemisorbed alcohol species. This was confirmed by velocity power spectra obtained from the molecular dynamics simulations. Active peroxo and oxo species on Au could be visualized with Raman analysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350643700005 Publication Date 2015-02-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.108 Times cited 38 Open Access  
  Notes FWO; Hercules; 246791 COUNTATOMS; IAP-PAI Approved Most recent IF: 3.108; 2015 IF: 3.840  
  Call Number c:irua:125431 Serial 207  
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Author Petrovic, M.D.; Peeters, F.M. doi  openurl
  Title Fano resonances in the conductance of graphene nanoribbons with side gates Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 035444  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The control of side gates on the quantum electron transport in narrow graphene ribbons of different widths and edge types (armchair and zigzag) is investigated. The conductance exhibits Fano resonances with varying side gate potential. Resonant and antiresonant peaks in the conductance can be associated with the eigenstates of a closed system, and these peaks can be accurately fitted with a Fano line shape. The local density of states (LDOS) and the electron current show a specific behavior at these resonances, which depends on the ribbon edge type. In zigzag ribbons, transport is dominated by intervalley scattering, which is reflected in the transmission functions of individual modes. The side gates induce p-n interfaces near the edges at which the LDOS exhibits peaks. Near the resonance points, the electron current flows uniformly through the constriction, while near the antiresonances it creates vortices. In the armchair ribbons the LDOS spreads in areas of high potential, with current flowing near the edges.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000351217900005 Publication Date 2015-01-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 17 Open Access  
  Notes ; This work was supported by the Methusalem programme of the Flemish government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:125422 Serial 1172  
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Author Bacaksiz, C.; Sahin, H.; Ozaydin, H.D.; Horzum, S.; Senger, R.T.; Peeters, F.M. url  doi
openurl 
  Title Hexagonal A1N : dimensional-crossover-driven band-gap transition Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 91 Issue 91 Pages 085430  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by a recent experiment that reported the successful synthesis of hexagonal (h) AlN [Tsipas et al., Appl. Phys. Lett. 103, 251605 (2013)], we investigate structural, electronic, and vibrational properties of bulk, bilayer, and monolayer structures of h-AlN by using first-principles calculations. We show that the hexagonal phase of the bulk h-AlN is a stable direct-band-gap semiconductor. The calculated phonon spectrum displays a rigid-layer shear mode at 274 cm(-1) and an E-g mode at 703 cm(-1), which are observable by Raman measurements. In addition, single-layer h-AlN is an indirect-band-gap semiconductor with a nonmagnetic ground state. For the bilayer structure, AA'-type stacking is found to be the most favorable one, and interlayer interaction is strong. While N-layered h-AlN is an indirect-band-gap semiconductor for N = 1 – 9, we predict that thicker structures (N >= 10) have a direct band gap at the Gamma point. The number-of-layer-dependent band-gap transitions in h-AlN is interesting in that it is significantly different from the indirect-to-direct crossover obtained in the transition-metal dichalcogenides.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350319200020 Publication Date 2015-02-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 99 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). C.B. and R.T.S. acknowledge the support from TUBITAK Project No 114F397. H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2015 IF: 3.736  
  Call Number c:irua:125416 Serial 1421  
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Author Baken, S.; Salaets, P.; Desmet, N.; Seuntjens, P.; Vanlierde, E.; Smolders, E. doi  openurl
  Title Oxidation of iron causes removal of phosphorus and arsenic from streamwater in groundwater-fed lowland catchments Type A1 Journal article
  Year 2015 Publication Environmental science and technology Abbreviated Journal  
  Volume 49 Issue 5 Pages 2886-2894  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The fate of iron (Fe) may affect that of phosphorus (P) and arsenic (As) in natural waters. This study addresses the removal of Fe, P, and As from streams in lowland catchments fed by reduced, Fe-rich groundwater (average: 20 mg Fe L-1). The concentrations of dissolved Fe (<0.45 mu m) in streams gradually decrease with increasing hydraulic residence time (travel time) of the water in the catchment. The removal of Fe from streamwater is governed by chemical reactions and hydrological processes: the oxidation of ferrous iron (Fe(II)) and the subsequent formation of particulate Fe oxyhydroxides proceeds as the water flows through the catchment into increasingly larger streams. The Fe removal exhibits first-order kinetics with a mean half-life of 12 h, a value in line with predictions by a kinetic model for Fe(II) oxidation. The Fe concentrations in streams vary seasonally: they are higher in winter than in summer, due to shorter hydraulic residence time and lower temperature in winter. The removal of P and As is much faster than that of Fe. The average concentrations of P and As in streams (42 mu g P L-1) and 1.4 mu g As L-1) are 1 order of magnitude below those in groundwater (393 mu g P L-1 and 17 mu g As L-1). This removal is attributed to fast sequestration by oxidizing Fe when the water enters oxic environments, possibly by adsorption on Fe oxyhydroxides or by formation of ferric phosphates. The average P and As concentrations in groundwater largely exceed local environmental limits for freshwater (140 mu g P L-1 and 3 mu g As L((-1)), but in streams, they are below these limits. Naturally occurring Fe in groundwater may alleviate the environmental risk associated with P and As in the receiving streams.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350611100040 Publication Date 2015-02-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-936x; 1520-5851 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:125409 Serial 8354  
Permanent link to this record
 

 
Author Cambré, S.; Campo, J.; Beirnaert, C.; Verlackt, C.; Cool, P.; Wenseleers, W. pdf  doi
openurl 
  Title Asymmetric dyes align inside carbon nanotubes to yield a large nonlinear optical response Type A1 Journal article
  Year 2015 Publication Nature nanotechnology Abbreviated Journal Nat Nanotechnol  
  Volume 10 Issue 10 Pages 248-252  
  Keywords A1 Journal article; Engineering sciences. Technology; Nanostructured and organic optical and electronic materials (NANOrOPT); Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Asymmetric dye molecules have unusual optical and electronic properties1, 2, 3. For instance, they show a strong second-order nonlinear optical (NLO) response that has attracted great interest for potential applications in electro-optic modulators for optical telecommunications and in wavelength conversion of lasers2, 3. However, the strong Coulombic interaction between the large dipole moments of these molecules favours a pairwise antiparallel alignment that cancels out the NLO response when incorporated into bulk materials. Here, we show that by including an elongated dipolar dye (p,p′-dimethylaminonitrostilbene, DANS, a prototypical asymmetric dye with a strong NLO response4) inside single-walled carbon nanotubes (SWCNTs)5, 6, an ideal head-to-tail alignment in which all electric dipoles point in the same sense is naturally created. We have applied this concept to synthesize solution-processible DANS-filled SWCNTs that show an extremely large total dipole moment and static hyperpolarizability (β0 = 9,800 × 10−30 e.s.u.), resulting from the coherent alignment of arrays of ∼70 DANS molecules.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000350799700016 Publication Date 2015-02-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1748-3387;1748-3395; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 38.986 Times cited 46 Open Access  
  Notes Approved Most recent IF: 38.986; 2015 IF: 34.048  
  Call Number c:irua:125405 Serial 158  
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Author Kerkhofs, S.; Leroux, F.; Allouche, L.; Mellaerts, R.; Jammaer, J.; Aerts, A.; Kirschhock, C.E.A.; Magusin, P.C.M.M.; Taulelle, F.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; url  doi
openurl 
  Title Single-step alcohol-free synthesis of coreshell nanoparticles of \gamma-casein micelles and silica Type A1 Journal article
  Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv  
  Volume 4 Issue 49 Pages 25650-25657  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A new, single-step protocol for wrapping individual nanosized β-casein micelles with silica is presented. This biomolecule-friendly synthesis proceeds at low protein concentration at almost neutral pH, and makes use of sodium silicate instead of the common silicon alkoxides. This way, formation of potentially protein-denaturizing alcohols can be avoided. The pH of the citrate-buffered synthesis medium is close to the isoelectric point of β-casein, which favours micelle formation. A limited amount of sodium silicate is added to the protein micelle suspension, to form a thin silica coating around the β-casein micelles. The size distribution of the resulting proteinsilica structures was characterized using DLS and SAXS, as well as 1H NMR DOSY with a dedicated pulsed-field gradient cryo-probehead to cope with the low protein concentration. The degree of silica-condensation was investigated by 29Si MAS NMR, and the nanostructure was revealed by advanced electron microscopy techniques such as ESEM and HAADF-STEM. As indicated by the combined characterization results, a silica shell of 2 nm is formed around individual β-casein micelles giving rise to separate protein coresilica shell nanoparticles of 17 nm diameter. This alcohol-free method at mild temperature and pH is potentially suited for packing protein molecules into bio-compatible silica nanocapsules for a variety of applications in biosensing, therapeutic protein delivery and biocatalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000338434500025 Publication Date 2014-05-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2046-2069; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.108 Times cited 3 Open Access OpenAccess  
  Notes Fwo; 262348 Esmi; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:can); Approved Most recent IF: 3.108; 2014 IF: 3.840  
  Call Number UA @ lucian @ c:irua:125382 Serial 3027  
Permanent link to this record
 

 
Author Goris, B.; Freitag, B.; Zanaga, D.; Bladt, E.; Altantzis, T.; Ringnalda, J.; Bals, S. pdf  url
doi  openurl
  Title Towards quantitative EDX results in 3 dimensions Type A1 Journal article
  Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal  
  Volume 20 Issue S:3 Pages 766-767  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge, Mass. Editor  
  Language Wos Publication Date 2014-08-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1431-9276;1435-8115; ISBN Additional Links (down) UA library record  
  Impact Factor 1.891 Times cited Open Access OpenAccess  
  Notes 335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 1.891; 2014 IF: 1.877  
  Call Number UA @ lucian @ c:irua:125381 Serial 3687  
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