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Author Folens, K.; Leus, K.; Nicomel, N.R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. pdf  doi
openurl 
  Title Fe3O4@MIL-101-A selective and regenerable adsorbent for the removal of as species from water Type A1 Journal article
  Year (down) 2016 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem  
  Volume 2016 Issue 2016 Pages 4395-4401  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The chromium-based metal organic framework MIL-101(Cr) served as a host for the in situ synthesis of Fe3O4 nano particles. This hybrid nanomaterial was tested as an adsorbent for arsenite and arsenate species in groundwater and surface water and showed excellent affinity towards As-III and As-V species. The adsorption capacities of 121.5 and 80.0 mg g(-1) for arsenite and arsenate species, respectively, are unprecedented. The presence of Ca2+, Mg2+, and phosphate ions and natural organic matter does not affect the removal efficiency or the selectivity. The structural integrity of the hybrid nanomaterial was maintained during the adsorption process and even after desorption through phosphate elution. Additionally, no significant leaching of Cr or Fe species was observed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000386166900019 Publication Date 2016-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.444 Times cited 27 Open Access  
  Notes Approved Most recent IF: 2.444  
  Call Number UA @ lucian @ c:irua:139220 Serial 4442  
Permanent link to this record
 

 
Author Lebedev, O.I.; Turner, S.; Caignaert, V.; Cherepanov, V.A.; Raveau, B. pdf  url
doi  openurl
  Title Exceptional layered ordering of cobalt and iron in perovskites Type A1 Journal article
  Year (down) 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 28 Issue 28 Pages 2907-2911  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000375810400005 Publication Date 2016-04-20  
  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 4 Open Access  
  Notes Approved Most recent IF: 9.466  
  Call Number UA @ lucian @ c:irua:133640 Serial 4178  
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Author Cukaric, N.A.; Partoens, B.; Tadic, M.Z.; Arsoski, V.V.; Peeters, F.M. pdf  doi
openurl 
  Title The 30-band k . p theory of valley splitting in silicon thin layers Type A1 Journal article
  Year (down) 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 28 Issue 28 Pages 195303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The valley splitting of the conduction-band states in a thin silicon-on-insulator layer is investigated using the 30-band k . p theory. The system composed of a few nm thick Si layer embedded within thick SiO2 layers is analyzed. The valley split states are found to cross periodically with increasing quantum well width, and therefore the energy splitting is an oscillatory function of the quantum well width, with period determined by the wave vector K-0 of the conduction band minimum. Because the valley split states are classified by parity, the optical transition between the ground hole state and one of those valley split conduction band states is forbidden. The oscillations in the valley splitting energy decrease with electric field and with smoothing of the composition profile between the well and the barrier by diffusion of oxygen from the SiO2 layers to the Si quantum well. Such a smoothing also leads to a decrease of the interband transition matrix elements. The obtained results are well parametrized by the effective two-valley model, but are found to disagree from previous 30-band calculations. This discrepancy could be traced back to the fact that the basis for the numerical solution of the eigenproblem must be restricted to the first Brillouin zone in order to obtain quantitatively correct results for the valley splitting.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000374394700009 Publication Date 2016-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.649 Times cited Open Access  
  Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:133610 Serial 4261  
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Author Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M. pdf  doi
openurl 
  Title Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene Type A1 Journal article
  Year (down) 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 28 Issue 28 Pages 195301  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2.5 to 5.2 eV. Our calculations revealed that these systems with adsorbed metal atoms exhibit a magnetic anisotropy, specifically the structures including Os and Ir show a giant magnetocrystalline anisotropy energy of 31-101 meV. Our results demonstrate the possibility of obtaining stable monolayer materials with huge magnetocrystalline anisotropy based on preexisting, well known and stable two-dimensional crystals: fluorographene and molybdenum disulfide. We believe that the results obtained here are useful not only for deeper understanding of the origin of magnetocrystalline anisotropy but also for the design of monolayer optoelectronic devices with novel functionalities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000374394700007 Publication Date 2016-04-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 7 Open Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:133611 Serial 4185  
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Author Tinck, S.; Bogaerts, A. pdf  url
doi  openurl
  Title Computational study of the CF4 /CHF3 / H2 /Cl2 /O2 /HBr gas phase plasma chemistry Type A1 Journal article
  Year (down) 2016 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 49 Issue 49 Pages 195203  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A modelling study is performed of high-density low-pressure inductively coupled CF4/CHF3/H2/Cl2/O2/HBr plasmas under different gas mixing ratios. A reaction set describing the complete plasma chemistry is presented and discussed. The gas fraction of each component in this mixture is varied to investigate the sensitivity of the plasma properties, like electron density, plasma potential and species densities, towards the gas mixing ratios. This research is of great interest for microelectronics applications because these gases are often combined in two (or more)-component mixtures, and mixing gases or changing the fraction of a gas can sometimes yield unwanted reaction products or unexpected changes in the overall plasma properties due to the increased chemical complexity of the system. Increasing the CF4 fraction produces more F atoms for chemical etching as expected, but also more prominently lowers the density of Cl atoms, resulting in an actual drop in the etch rate under certain conditions. Furthermore, CF4 decreases the free electron density when mixed with Cl2. However, depending on the other gas components, CF4 gas can also sometimes enhance free electron density. This is the case when HBr is added to the mixture. The addition of H2 to the gas mixture will lower the sputtering process, not only due to the lower overall positive ion density at higher H2 fractions, but also because more H+, H2 + and H3 + are present and they have very low sputter yields. In contrast, a larger Cl2 fraction results in more chemical etching but also in less physical sputtering due to a smaller abundance of positive ions. Increasing the O2 fraction in the plasma will always lower the etch rate due to more oxidation of the wafer surface and due to a lower plasma density. However, it is also observed that the density of F atoms can actually increase with rising O2 gas fraction. This is relevant to note because the exact balance between fluorination and oxidation is important for fine-tuning the overall etch rate and for control of the sidewall profile. Finally, HBr is often used as a chemical etcher, but when mixed with F- or Cl-containing gases, HBr creates the same diluting effects as Ar or He, because a

higher fraction results in less chemical etching but more (physical) sputtering.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000375255500017 Publication Date 2016-04-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 5 Open Access  
  Notes We acknowledge the Fund for Scientific Research Flanders (FWO) for financial support of this work. This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. Approved Most recent IF: 2.588  
  Call Number c:irua:132890 Serial 4062  
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Author Leenaerts, O.; Vercauteren, S.; Schoeters, B.; Partoens, B. pdf  doi
openurl 
  Title System-size dependent band alignment in lateral two-dimensional heterostructures Type A1 Journal article
  Year (down) 2016 Publication 2D materials Abbreviated Journal 2D Mater  
  Volume 3 Issue 3 Pages 025012  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The electronic band alignment in semiconductor heterostructures is a key factor for their use in electronic applications. The alignment problem has been intensively studied for bulk systems but is less well understood for low-dimensional heterostructures. In this work we investigate the alignment in two-dimensional lateral heterostructures. First-principles calculations are used to show that the electronic band offset depends crucially on the width and thickness of the heterostructure slab. The particular heterostructures under study consist of thin hydrogenated and fluorinated diamond slabs which are laterally joined together. Two different limits for the band offset are observed. For infinitely wide heterostructures the vacuum potential above the two materials is aligned leading to a large step potential within the heterostructure. For infinitely thick heterostructure slabs, on the other hand, there is no potential step in the heterostructure bulk, but a large potential step in the vacuum region above the heterojunction is observed. The band alignment in finite systems depends on the particular dimensions of the system. These observations are shown to result from an interface dipole at the heterojunction that tends to align the band structures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000378571400032 Publication Date 2016-04-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.937 Times cited 19 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: 6.937  
  Call Number c:irua:132792 c:irua:132792 Serial 4055  
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Author Craco, L.; Carara, S.S.; da Silva Pereira, T.A.; Milošević, M.V. url  doi
openurl 
  Title Electronic states in an atomistic carbon quantum dot patterned in graphene Type A1 Journal article
  Year (down) 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 155417  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We reveal the emergence of metallicKondo clouds in an atomistic carbon quantum dot, realized as a single-atom junction in a suitably patterned graphene nanoflake. Using density functional dynamical mean-field theory (DFDMFT) we show how correlation effects lead to striking features in the electronic structure of our device, and how those are enhanced by the electron-electron interactions when graphene is patterned at the atomistic scale. Our setup provides a well-controlled environment to understand the principles behind the orbital-selective Kondo physics and the interplay between orbital and spin degrees of freedom in carbon-based nanomaterials, which indicate new pathways for spintronics in atomically patterned graphene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000373760900004 Publication Date 2016-04-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 6 Open Access  
  Notes ; L.C.'s work is supported by CNPq (Proc. No. 307487/2014-8). Acknowledgment (L.C.) is also made to G. Seifert for discussions and the Department of Theoretical Chemistry at Technical University Dresden for hospitality. T.A.S.P. thanks PRONEX/CNPq/FAPEMAT 850109/2009 for financial support. M.V.M. acknowledges support from Research Foundation-Flanders (FWO), TOPBOF, and the CAPES-PVE program. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:133260 Serial 4171  
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Author Mourdikoudis, S.; Altantzis, T.; Liz-Marzan, L.M.; Bals, S.; Pastoriza-Santos, I.; Perez-Juste, J. pdf  url
doi  openurl
  Title Hydrophilic Pt nanoflowers: synthesis, crystallographic analysis and catalytic performance Type A1 Journal article
  Year (down) 2016 Publication CrystEngComm Abbreviated Journal Crystengcomm  
  Volume 18 Issue 18 Pages 3422-3427  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Water-soluble Pt nanoflowers (NFs) were prepared by a diethylene glycol-mediated reduction of Pt acetylacetonate

(Pt(acac)2) in the presence of polyethyleneimine. Advanced electron microscopy analysis showed that NFs consist of

multiple branches with truncated cubic morphology and different crystallographic orientations. We demonstrate that the

nature of the solvent strongly influences the resulting morphology. The catalytic performance of Pt NFs in 4–nitrophenol

reduction was found to be superior to that of other nanoparticle-based catalysts. Additionally, Pt NFs display good

catalytic reusability with no loss of activity after five consecutive cycles.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000375697800012 Publication Date 2016-04-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1466-8033 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.474 Times cited 30 Open Access OpenAccess  
  Notes The authors would like to thank J. Millos for the XRD experiments and R. Lomba for ICP-OES elemental analysis measurements at the CACTI institute in Vigo. S. Rodal-Cedeira is acknowledged for the FTIR measurement. This research project was implemented within the framework of the Action «Supporting Postdoctoral Researchers» of the Operational Program “Education and Lifelong Learning” (Action’s Beneficiary: General Secretariat for Research and Technology of Greece) and is co-financed by the European Social Fund (ESF) and the Greek State [project code PE4(1546)]. This work has been also supported by the Spanish MINECO (grant MAT2013-45168-R) and by the Xunta de Galicia/FEDER (Grant No. GPC2013-006; INBIOMED/FEDER “Unha maneira de facer Europa”). S.B. acknowledges funding from the European Research Council under the Seventh Framework Program (FP7), ERC Grant No. 335078 COLOURATOMS.; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 3.474  
  Call Number c:irua:133670 Serial 4067  
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Author Mirzakhani, M.; Zarenia, M.; Ketabi, S.A.; da Costa, D.R.; Peeters, F.M. url  doi
openurl 
  Title Energy levels of hybrid monolayer-bilayer graphene quantum dots Type A1 Journal article
  Year (down) 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 165410  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000373572700004 Publication Date 2016-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 26 Open Access  
  Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO)-CNPq project between Flanders and Brazil and the Brazilian Science Without Borders program. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:133261 Serial 4174  
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Author Bakalov, P.; Esfahani, D.N.; Covaci, L.; Peeters, F.M.; Tempere, J.; Locquet, J.-P. url  doi
openurl 
  Title Electric-field-driven Mott metal-insulator transition in correlated thin films : an inhomogeneous dynamical mean-field theory approach Type A1 Journal article
  Year (down) 2016 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 165112  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract Simulations are carried out based on the dynamical mean-field theory (DMFT) in order to investigate the properties of correlated thin films for various values of the chemical potential, temperature, interaction strength, and applied transverse electric field. Application of a sufficiently strong field to a thin film at half filling leads to the appearance of conducting regions near the surfaces of the film, whereas in doped slabs the application of a field leads to a conductivity enhancement on one side of the film and a gradual transition to the insulating state on the opposite side. In addition to the inhomogeneous DMFT, a local density approximation (LDA) is considered in which the particle density n, quasiparticle residue Z, and spectral weight at the Fermi level A(ω=0) of each layer are approximated by a homogeneous bulk environment. A systematic comparison between the two approaches reveals that the less expensive LDA results are in good agreement with the DMFT approach, except close to the metal-to-insulator transition points and in the layers immediately at the film surfaces. LDA values for n are overall more reliable than those for Z and A(ω=0). The hysteretic behavior (memory effect) characteristic of the bulk doping driven Mott transition persists in the slab.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000373572700002 Publication Date 2016-04-09  
  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 5 Open Access  
  Notes ; This work was partially funded by the Flemish Fund for Scientific Research (FWO Belgium) under FWO Grant No. G.0520.10 and the joint FWF (Austria)-FWO Grant No. GOG6616N, and by the SITOGA FP7 project. Most of the calculations were performed on KU Leuven's ThinKing HPC cluster provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:132872 Serial 4167  
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Author Trenchev, G.; Kolev, S.; Bogaerts, A. pdf  url
doi  openurl
  Title A 3D model of a reverse vortex flow gliding arc reactor Type A1 Journal article
  Year (down) 2016 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 25 Issue 25 Pages 035014  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this computational study, a gliding arc plasma reactor with a reverse-vortex flow stabilization is modelled for the first time by a fluid plasma description. The plasma reactor operates with argon gas at atmospheric pressure. The gas flow is simulated using the k-ε Reynolds-averaged Navier–Stokes turbulent model. A quasi-neutral fluid plasma model is used for computing the plasma properties. The plasma arc movement in the reactor is observed, and the results for the gas flow, electrical characteristics, plasma density, electron temperature, and gas temperature are analyzed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000376557400022 Publication Date 2016-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0963-0252 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited 20 Open Access  
  Notes This research was carried out in the framework of the network on Physical Chemistry of Plasma–Surface Interactions— Interuniversity Attraction Poles, phase VII (http://psi-iap7.ulb. ac.be/), and supported by the Belgian Science Policy Office (BELSPO), and it was also funded by the Fund for Scientific Research Flanders (FWO). Grant number: 11U5316N. Approved Most recent IF: 3.302  
  Call Number c:irua:132888 c:irua:132888 Serial 4063  
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Author Thirumalraj, alamurugan; Palanisamy, S.; Chen, S.-M.; De Wael, K. pdf  url
doi  openurl
  Title A graphene/gelatin composite material for the entrapment of hemoglobin for bioelectrochemical sensing applications Type A1 Journal article
  Year (down) 2016 Publication Journal of the electrochemical society Abbreviated Journal J Electrochem Soc  
  Volume 163 Issue 7 Pages 265-271  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract In the present work, a novel graphene (GN) and gelatin (GTN) composite was prepared and used as an immobilization matrix for hemoglobin (Hb). Compared with Hb immobilized on a bare, GN or GTN modified glassy carbon electrode (GCE), a stable and pair of well-defined quasi redox couple was observed at an Hb modified GN/GTN composite GCE at a formal potential of −0.306 V versus Ag|AgCl. The direct electrochemical behavior of Hb was greatly enhanced by the presence of both GTN and GN. A heterogeneous electron transfer rate constant (Ks) was calculated as 3.82 s−1 for Hb immobilized at GN/GTN modified GCE, which indicates the fast direct electron transfer of Hb toward the electrode surface. The biosensor shows a stable and wide linear response for H2O2 in the linear response range from 0.1 μM to 786.6 μM with an analytical sensitivity and limit of detection of 0.48 μAμM−1 cm−2 and 0.04 μM, respectively. The fabricated biosensor holds its high selectivity in the presence of potentially active interfering species and metal ions. The biosensor shows its satisfactory practical ability in the commercial contact lens solution and human serum samples.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000377412900047 Publication Date 2016-04-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4651 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.259 Times cited 9 Open Access  
  Notes ; This project was supported by the Ministry of Science and Technology (project no. NSC1012113M027001MY3), Taiwan (Republic of China). The authors express their sincere thanks to Prof. Bih-Show Lou, Chemistry Division, Center for General Education, Chang Gung University, Tao-Yuan, Taiwan for providing the human serum samples. ; Approved Most recent IF: 3.259  
  Call Number UA @ admin @ c:irua:132627 Serial 5635  
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Author Retuerto, M.; Skiadopoulou, S.; Li, M.R.; Abakumov, A.M.; Croft, M.; Ignatov, A.; Sarkar, T.; Abbett, B.M.; Pokorný, J.; Savinov, M.; Nuzhnyy, D.; Prokleška, J.; Abeykoon, M.; Stephens, P.W.; Hodges, J.P.; Vaněk, P.; Fennie, C.J.; Rabe, K.M.; Kamba, S.; Greenblatt, M.; pdf  doi
openurl 
  Title Pb2MnTeO6 double perovskite : an antipolar anti-ferromagnet Type A1 Journal article
  Year (down) 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 55 Issue 55 Pages 4320-4329  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Pb2MnTeO6, a new double perovskite, was synthesized. Its crystal structure was determined by synchrotron X-ray and powder neutron diffraction. Pb2MnTeO6 is monoclinic (I2/m) at room temperature with a regular arrangement of all the cations in their polyhedra. However, when the temperature is lowered to similar to 120 K it undergoes a phase transition from I2/m to C2/c structure. This transition is accompanied by a displacement of the Pb atoms from the center of their polyhedra due to the 6s2 lone-pair electrons, together with a surprising off-centering of Mn2+ (d5) magnetic cations. This strong first-order phase transition is also evidenced by specific heat, dielectric, Raman, and infrared spectroscopy measurements. The magnetic characterizations indicate an anti-ferromagnetic (AFM) order below TN approximate to 20 K; analysis of powder neutron diffraction data confirms the magnetic structure with propagation vector k = (0 1 0) and collinear AFM spins. The observed jump in dielectric permittivity near similar to 150 K implies possible anti-ferroelectric behavior; however, the absence of switching suggests that Pb2MnTeO6 can only be antipolar. First-principle calculations confirmed that the crystal and magnetic structures determined are locally stable and that anti-ferroelectric switching is unlikely to be observed in Pb2MnTeO6.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000375519700027 Publication Date 2016-04-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 9 Open Access  
  Notes Approved Most recent IF: 4.857  
  Call Number UA @ lucian @ c:irua:134219 Serial 4258  
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Author Amin-Ahmadi, B.; Connétable, D.; Fivel, M.; Tanguy, D.; Delmelle, R.; Turner, S.; Malet, L.; Godet, S.; Pardoen, T.; Proost, J.; Schryvers, D.; Idrissi, H. pdf  url
doi  openurl
  Title Dislocation/hydrogen interaction mechanisms in hydrided nanocrystalline palladium films Type A1 Journal article
  Year (down) 2016 Publication Acta materialia Abbreviated Journal Acta Mater  
  Volume 111 Issue 111 Pages 253-261  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The nanoscale plasticity mechanisms activated during hydriding cycles in sputtered nanocrystalline Pd films have been investigated ex-situ using advanced transmission electron microscopy techniques. The internal stress developing within the films during hydriding has been monitored in-situ. Results showed that in Pd films hydrided to β-phase, local plasticity was mainly controlled by dislocation activity in spite of the small grain size. Changes of the grain size distribution and the crystallographic texture have not been observed. In contrast, significant microstructural changes were not observed in Pd films hydrided to α-phase. Moreover, the effect of hydrogen loading on the nature and density of dislocations has been investigated using aberration-corrected TEM. Surprisingly, a high density of shear type stacking faults has been observed after dehydriding, indicating a significant effect of hydrogen on the nucleation energy barriers of Shockley partial dislocations. Ab-initio calculations of the effect of hydrogen on the intrinsic stable and unstable stacking fault energies of palladium confirm the experimental observations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000375812100027 Publication Date 2016-04-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.301 Times cited 14 Open Access  
  Notes This work was carried out in the framework of the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs, under Contract No. P7/21. The support of the FWO research project G012012N “Understanding nanocrystalline mechanical behaviour from structural investigations” for B. Amin-Ahmadi is also gratefully acknowledged. This work was granted access to the HPC resources of CALMIP (CICT Toulouse, France) under the allocations 2014-p0912 and 2014-p0749. Approved Most recent IF: 5.301  
  Call Number c:irua:132678 Serial 4054  
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Author Schalm, O.; Anaf, W. pdf  doi
openurl 
  Title Laminated altered layers in historical glass : density variations of silica nanoparticle random packings as explanation for the observed lamellae Type A1 Journal article
  Year (down) 2016 Publication Journal of non-crystalline solids Abbreviated Journal  
  Volume 442 Issue Pages 1-16  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract One of the most striking but unexplained phenomena in the natural degradation of glass is the transformation of an almost colorless, transparent and homogeneous glass into a colored, opaque and heterogeneous degradation layer. In many cases, the degradation layer consists of numerous lamellae with a thickness between 0.1 and 10 pm. However, both internal structure and formation proess of laminated degradation layers remain unclear. In this paper, a model is proposed where we assume that transformed (degraded) glass consists of a random packing of nano-sized silica particles while the lamellae are the result of different packing densities. The model is able to connect the texture of numerous lamellae observed by several types of microscopic techniques with the structure at molecular level determined by means of chemical analysis. In addition, the model is able to explain numerous properties such as the parameters responsible for the contrast between lamellae. This contrast can be caused by differences in color, density, elemental composition, or surface roughness. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000375809800001 Publication Date 2016-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3093 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:133634 Serial 8146  
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Author Hoogmartens, R.; Eyckmans, J.; Van Passel, S. pdf  doi
openurl 
  Title Landfill taxes and enhanced waste management : combining valuable practices with respect to future waste streams Type A1 Journal article
  Year (down) 2016 Publication Waste Management Abbreviated Journal Waste Manage  
  Volume 55 Issue Pages 345-354  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract Both landfill taxes and Enhanced Waste Management (EWM) practices can mitigate the scarcity issue of landfill capacity by respectively reducing landfilled waste volumes and valorising future waste streams. However, high landfill taxes might erode incentives for EWM, even though EWM creates value by valorising waste. Concentrating on Flanders (Belgium), the paper applies dynamic optimisation modelling techniques to analyse how landfill taxation and EWM can reinforce each other and how taxation schemes can be adjusted in order to foster sustainable and welfare maximising ways of processing future waste streams. Based on the Flemish simulation results, insights are offered that are generally applicable in international waste and resource management policy. As shown, the optimal Flemish landfill tax that optimises welfare in the no EWM scenario is higher than the one in the EWM scenario (93 against (sic)50/ton). This difference should create incentives for applying EWM and is driven by the positive external effects that are generated by EWM practices. In Flanders, as the current landfill tax is slightly lower than these optimal levels, the choice that can be made is to further increase taxation levels or show complete commitment to EWM. A first generally applicable insight that was found points to the fact that it is not necessarily the case that the higher the landfill tax, the more effective waste management improvements can be realised. Other insights are about providing sufficient incentives for applying EMW practices and formulating appropriate pleas in support of technological development. By these insights, this paper should provide relevant information that can assist in triggering the transition towards a resource efficient, circular economy in Europe. (C) 2016 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000381535200036 Publication Date 2016-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0956-053x ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles  
  Impact Factor 4.03 Times cited 5 Open Access  
  Notes ; ; Approved Most recent IF: 4.03  
  Call Number UA @ admin @ c:irua:137150 Serial 6222  
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Author De Schutter, B.; Van Stiphout, K.; Santos, N.M.; Bladt, E.; Jordan-Sweet, J.; Bals, S.; Lavoie, C.; Comrie, C.M.; Vantomme, A.; Detavernier, C. pdf  url
doi  openurl
  Title Phase formation and texture of thin nickel germanides on Ge(001) and Ge(111) Type A1 Journal article
  Year (down) 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 119 Issue 119 Pages 135305  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We studied the solid-phase reaction between a thin Nifilm and a single crystal Ge(001) or Ge(111) substrate during a ramp anneal. The phase formation sequence was determined using in situX-ray diffraction and in situRutherford backscattering spectrometry (RBS), while the nature and the texture of the phases were studied using X-ray pole figures and transmission electron microscopy. The phase sequence is characterized by the formation of a single transient phase before NiGe forms as the final and stable phase. X-ray pole figures were used to unambiguously identify the transient phase as the ϵ-phase, a non-stoichiometric Ni-rich germanide with a hexagonal crystal structure that can exist for Ge concentrations between 34% and 48% and which forms with a different epitaxial texture on both substrate orientations. The complementary information gained from both RBS and X-ray pole figure measurements revealed a simultaneous growth of both the ϵ-phase and NiGe over a small temperature window on both substrate orientations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000374150200035 Publication Date 2016-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 14 Open Access OpenAccess  
  Notes The authors thank the FWO-vlaanderen, BOF-UGent (under Contract No. “GOA 01G01513”) and the Hercules Foundation (under Project No. “AUGE/09/014”) for financial support. S. Bals acknowledges financial support from European Research Council (ERC Starting Grant No. “#335078-COLOURATOMS”). A. Vantomme thanks the BOF-KULeuven (under Contract No. “GOA/14/007”) and the Joint Science and Technology Collaboration between the FWO (G.0031.14) and NRF (UID88013). The National Synchrotron Light Source (NSLS), Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences (Contract No. DE-AC02-98CH10886).; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:restricted); Approved Most recent IF: 2.068  
  Call Number c:irua:132897 Serial 4066  
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Author Ovsyannikov, S.V.; Bykov, M.; Bykova, E.; Kozlenko, D.P.; Tsirlin, A.A.; Karkin, A.E.; Shchennikov, V.V.; Kichanov, S.E.; Gou, H.; Abakumov, A.M.; Egoavil, R.; Verbeeck, J.; McCammon, C.; Dyadkin, V.; Chernyshov, D.; van Smaalen, S.; Dubrovinsky, L.S. pdf  url
doi  openurl
  Title Charge-ordering transition in iron oxide Fe4O5 involving competing dimer and trimer formation Type A1 Journal article
  Year (down) 2016 Publication Nature chemistry Abbreviated Journal Nat Chem  
  Volume 8 Issue 8 Pages 501-508  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Phase transitions that occur in materials, driven, for instance, by changes in temperature or pressure, can dramatically change the materials' properties. Discovering new types of transitions and understanding their mechanisms is important not only from a fundamental perspective, but also for practical applications. Here we investigate a recently discovered Fe4O5 that adopts an orthorhombic CaFe3O5-type crystal structure that features linear chains of Fe ions. On cooling below approximately 150 K, Fe4O5 undergoes an unusual charge-ordering transition that involves competing dimeric and trimeric ordering within the chains of Fe ions. This transition is concurrent with a significant increase in electrical resistivity. Magnetic-susceptibility measurements and neutron diffraction establish the formation of a collinear antiferromagnetic order above room temperature and a spin canting at 85 K that gives rise to spontaneous magnetization. We discuss possible mechanisms of this transition and compare it with the trimeronic charge ordering observed in magnetite below the Verwey transition temperature.  
  Address Bayerisches Geoinstitut, Universitat Bayreuth, Universitatsstrasse 30, D-95447, Bayreuth, Germany  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000374534100019 Publication Date 2016-04-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1755-4330 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 25.87 Times cited 51 Open Access  
  Notes S.V.O. acknowledges the financial support of the Deutsche Forschungsgemeinschaft (DFG) under project OV-110/1-3. A.E.K. and V.V.S. acknowledge the support of the Russian Foundation for Basic Research (Project 14–02–00622a). H.G. acknowledges the support from the Alexander von Humboldt (AvH) Foundation and the National Natural Science Foundation of China (No. 51201148). A.M.A., R.E. and J.V. acknowledge financial support from the European Commission (EC) under the Seventh Framework Programme (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483- ESTEEM2. R.E. acknowledges support from the EC under FP7 Grant No. 246102 IFOX. A.M.A. acknowledges funding from the Russian Science Foundation (Grant No. 14-13- 00680). A.A.T. acknowledges funding and from the Federal Ministry for Education and Research through the Sofja Kovalevkaya Award of the AvH Foundation. Funding from the Fund for Scientific Research Flanders under FWO Project G.0044.13N is acknowledged. M.B. and S.v.S. acknowledge support from the DFG under Project Sm55/15-2. We acknowledge the European Synchrotron Radiation Facility for the provision of synchrotron radiation facilities.; esteem2jra2; esteem2jra3 Approved Most recent IF: 25.87  
  Call Number c:irua:133593 c:irua:133593UA @ admin @ c:irua:133593 Serial 4068  
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Author Van Aelst, J.; Philippaerts, A.; Bartholomeeusen, E.; Fayad, E.; Thibault-Starzyk, F.; Lu, J.; Schryvers, D.; Ooms, R.; Verboekend, D.; Jacobs, P.; Sels, B. url  doi
openurl 
  Title Towards biolubricant compatible vegetable oils by pore mouth hydrogenation with shape-selective Pt/ZSM-5 catalysts Type A1 Journal article
  Year (down) 2016 Publication Catalysis science & technology Abbreviated Journal Catal Sci Technol  
  Volume 6 Issue 6 Pages 2820-2828  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Pt/ZSM-5 catalysts with various crystal sizes were prepared via competitive ion-exchange, followed by a slow activation procedure. Even when using very large ZSM-5 crystals, highly dispersed Pt nano-clusters were contained within the zeolite crystal's voids, as ascertained by 2D pressure-jump IR spectroscopy of adsorbed CO and focussed ion-beam transmission electron microscopy. The shape-selective properties of the Pt/ZSM-5 catalysts were evaluated in the partial hydrogenation of soybean oil. Unique hydrogenation selectivities were observed, as the fatty acids located at the central position of the triacylglycerol (TAG) molecules were preferentially hydrogenated. The resulting oil has therefore high levels of intermediately melting TAGs, which are compatible with biolubricants due to their improved oxidative stability and still appropriate low-temperature fluidity. The TAG distribution in the partially hydrogenated soybean oil samples was independent from the zeolite crystal size, while the hydrogenation activity linearly increases with the crystal's external surface area. This trend was confirmed with a Pt loaded mesoporous ZSM-5 zeolite, obtained via a mild alkaline treatment. These observations imply and confirm a genuine pore mouth catalysis mechanism, in which only one fatty acid chain of the TAG is able to enter the micropores of ZSM-5, where the double bonds are hydrogenated by the crystal encapsulated Pt-clusters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000374790200031 Publication Date 2016-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2044-4753 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.773 Times cited 5 Open Access  
  Notes The research was funded through a PhD grant to J. V. A. of the Agency for Innovation by Science and Technology in Flanders (IWT). A. P. and D. V. acknowledge the F. W. O.-Vlaanderen (Research Foundation Flanders) for a post-doctoral fellowship. E. B. was kindly funded by an F. W. O.-Vlaanderen project. This work was performed in the framework of an Associated International Laboratory between FWO and CNRS. Approved Most recent IF: 5.773  
  Call Number EMAT @ emat @ c:irua:138981 Serial 4335  
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Author Zanaga, D.; Altantzis, T.; Polavarapu, L.; Liz-Marzán, L.M.; Freitag, B.; Bals, S. pdf  url
doi  openurl
  Title A New Method for Quantitative XEDS Tomography of Complex Heteronanostructures Type A1 Journal article
  Year (down) 2016 Publication Particle and particle systems characterization Abbreviated Journal Part Part Syst Char  
  Volume 33 Issue 33 Pages 396-403  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Reliable quantification of 3D results obtained by X-ray Energy Dispersive Spectroscopy (XEDS) tomography is currently hampered by the presence of shadowing effects and poor spatial resolution. Here, we present a method that overcomes these problems by synergistically combining quantified XEDS data and High Angle Annular Dark Field – Scanning Transmission Electron Microscopy (HAADF-STEM) tomography. As a proof of principle, the approach is applied to characterize a complex Au/Ag nanorattle obtained through a galvanic replacement reaction. However, the technique we propose here is widely applicable to a broad range of nanostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000379970000008 Publication Date 2016-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0934-0866 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.474 Times cited 29 Open Access OpenAccess  
  Notes The authors acknowledge financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS, ERC Advanced Grant # 291667 HierarSACol and ERC Advanced Grant 267867 – PLASMAQUO), the European Union under the FP7 (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI and N. 312483 ESTEEM2).; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 4.474  
  Call Number c:irua:132643 c:irua:132643 Serial 4052  
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Author Schrittwieser, S.; Pelaz, B.; Parak, W.J.; Lentijo-Mozo, S.; Soulantica, K.; Dieckhoff, J.; Ludwig, F.; Altantzis, T.; Bals, S.; Schotter, J. pdf  url
doi  openurl
  Title Homogeneous Protein Analysis by Magnetic Core-Shell Nanorod Probes Type A1 Journal article
  Year (down) 2016 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter  
  Volume 8 Issue 8 Pages 8893-8899  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Studying protein interactions is of vital importance both to fundamental biology research and to medical applications. Here, we report on the experimental proof of a universally applicable label-free homogeneous platform for rapid protein analysis. It is based on optically detecting changes in the rotational dynamics of magnetically agitated core-shell nanorods upon their specific interaction with proteins. By adjusting the excitation frequency, we are able to optimize the measurement signal for each analyte protein size. In addition, due to the locking of the optical signal to the magnetic excitation frequency, background signals are suppressed, thus allowing exclusive studies of processes at the nanoprobe surface only. We study target proteins (soluble domain of the human epidermal growth factor receptor 2 – sHER2) specifically binding to antibodies (trastuzumab) immobilized on the surface of our nanoprobes and demonstrate direct deduction of their respective sizes. Additionally, we examine the dependence of our measurement signal on the concentration of the analyte protein, and deduce a minimally detectable sHER2 concentration of 440 pM. For our homogeneous measurement platform, good dispersion stability of the applied nanoprobes under physiological conditions is of vital importance. To that end, we support our measurement data by theoretical modeling of the total particle-particle interaction energies. The successful implementation of our platform offers scope for applications in biomarker-based diagnostics as well as for answering basic biology questions.  
  Address Molecular Diagnostics, AIT Austrian Institute of Technology , Vienna, Austria  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000374274900007 Publication Date 2016-03-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.504 Times cited 16 Open Access OpenAccess  
  Notes The authors thank Frauke Alves, Julia Bode and Fernanda Ramos Gomes from the Max-Planck-Institute of Experimental Medicine in Göttingen for providing the trastuzumab antibody in form of the Herceptin therapeutic drug. The figure showing the measurement principle has been created by Darragh Crotty (www.darraghcrotty.com). Parts of this research were supported by the European Commission FP7 NAMDIATREAM project (EU NMP4-LA-2010−246479), by the German research foundation (DFG grant GRK 1782 to W.J.P.), and by the European Research Council (ERC Starting Grant #335078 Colouratom). B.P. acknowledges a PostDoctoral fellowship from the Alexander von Humboldt foundation. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ; ECAS_Sara; Approved Most recent IF: 7.504  
  Call Number c:irua:132889 Serial 4059  
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Author Kamaraj, B.; Purohit, R. doi  openurl
  Title Mutational Analysis on Membrane Associated Transporter Protein (MATP) and Their Structural Consequences in Oculocutaeous Albinism Type 4 (OCA4)A Molecular Dynamics Approach Type A1 Journal article
  Year (down) 2016 Publication Journal of cellular biochemistry Abbreviated Journal J Cell Biochem  
  Volume 117 Issue 11 Pages 2608-2619  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000383626800017 Publication Date 2016-03-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0730-2312 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.085 Times cited 28 Open Access  
  Notes Approved Most recent IF: 3.085  
  Call Number UA @ lucian @ c:irua:144634 Serial 4671  
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Author Kirilenko, D.A.; Brunkov, P.N. pdf  doi
openurl 
  Title Measuring the height-to-height correlation function of corrugation in suspended graphene Type A1 Journal article
  Year (down) 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 165 Issue 165 Pages 1-7  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract Nanocorrugation of 2D crystals is an important phenomenon since it affects their electronic and mechanical properties. The corrugation may have various sources; one of them is flexural phonons that, in particular, are responsible for the thermal conductivity of graphene. A study of corrugation of just the suspended graphene can reveal much of valuable information on the physics of this complicated phenomenon. At the same time, the suspended crystal nanorelief can hardly be measured directly because of high flexibility of the 2D crystal. Moreover, the relief portion related to rapid out-of-plane oscillations (flexural phonons) is also inaccessible by such measurements. Here we present a technique for measuring the Fourier components of the height-height correlation function H(q) of suspended graphene which includes the effect of flexural phonons. The technique is based on the analysis of electron diffraction patterns. The H(q) is measured in the range of wavevectors q approximately 0.4-4.5nm(-1). At the upper limit of this range H(q) does follow the T/kappaq(4) law. So, we measured the value of suspended graphene bending rigidity kappa=1.2+/-0.4eV at ambient temperature T approximately 300K. At intermediate wave vectors, H(q) follows a slightly weaker exponent than theoretically predicted q(-3.15) but is closer to the results of the molecular dynamics simulation. At low wave vectors, the dependence becomes even weaker, which may be a sign of influence of charge carriers on the dynamics of undulations longer than 10nm. The technique presented can be used for studying physics of flexural phonons in other 2D materials.  
  Address Ioffe Institute, Politekhnicheskaya ul. 26, 194021 St-Petersburg, Russia; ITMO University, Kronverksky pr. 49, 197101 St. Petersburg, Russia  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language English Wos 000375946200001 Publication Date 2016-03-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links  
  Impact Factor 2.843 Times cited 3 Open Access  
  Notes D.K. thanks the RFBR (Grant no. 16-32-60165) for the partial support of this research. The work was carried out in part at the Joint Research Center “Material Science and Characterization in Advanced Technologies” (St-Petersburg, Russia) under the financial support from the Ministry of Education and Science of the Russian Federation (Agreement 14.621.21.0007, 04.12.2014, id RFMEFI62114X0007, the use of the Jeol JEM-2100F microscope) and at EMAT, Universiteit Antwerpen (Antwerpen, Belgium), (the use of the FEI Tecnai G2 microscope). Approved Most recent IF: 2.843  
  Call Number EMAT @ emat @ Serial 4124  
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Author Thomassen, G.; Egiguren Vila, U.; Van Dael, M.; Lemmens, B.; Van Passel, S. pdf  url
doi  openurl
  Title A techno-economic assessment of an algal-based biorefinery Type A1 Journal article
  Year (down) 2016 Publication Clean Technologies And Environmental Policy Abbreviated Journal Clean Technol Envir  
  Volume 18 Issue 6 Pages 1849-1862  
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)  
  Abstract Economic and technological assessments have identified difficulties with the commercialization of bulk products from microalgae, like biofuels. To overcome these problems, a multi-product algal-based biorefinery has been proposed. This paper performs a techno-economic assessment of such a biorefinery. Four production pathways, ranging from a base case with commercial technologies to an improved case with innovative technologies, are analyzed. All region-specific parameters were adapted to Belgian conditions. Three scenarios result in techno-economically viable production plants. The most profitable scenario is the scenario which uses a specialized membrane for medium recycling and an open pond algae cultivation. Although the inclusion of a photobioreactor decreases the culture medium costs, the higher investment costs result in lower economic profits. The carotenoid content and price are identified as critical parameters. Furthermore, the economies of scale assumption for the photobioreactor is critical for the feasibility of this cultivation technology. The techno-economic assessment is an important methodology to guide and evaluate further improvements in research and shorten the time-to-market for innovative technologies in this field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000384470700017 Publication Date 2016-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1618-954x ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles  
  Impact Factor 3.331 Times cited 24 Open Access  
  Notes ; We would like to thank Herman Beckers, Metin Bulut, Frans Snijkers, Joris van der Have, Jan Vanderheyden, Leen Bastiaens, and Lies Eykens for the provision of technological and economic data and the useful discussions on the assumptions in the model. We would also like to thank Eva Cordery for proofreading the article and the anonymous reviewers for their valuable feedback and suggestions. Furthermore, we gratefully acknowledge the financial support of the Fundacion Novia Salcedo. ; Approved Most recent IF: 3.331  
  Call Number UA @ admin @ c:irua:139027 Serial 6262  
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Author Voss, A.; Wei, H.Y.; Zhang, Y.; Turner, S.; Ceccone, G.; Reithmaier, J.P.; Stengl, M.; Popov, C. pdf  doi
openurl 
  Title Strong attachment of circadian pacemaker neurons on modified ultrananocrystalline diamond surfaces Type A1 Journal article
  Year (down) 2016 Publication Materials science and engineering: part C: biomimetic materials Abbreviated Journal Mat Sci Eng C-Mater  
  Volume 64 Issue 64 Pages 278-285  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Diamond is a promising material for a number of bio-applications, including the fabrication of platforms for attachment and investigation of neurons and of neuroprostheses, such as retinal implants. In the current work ultrananocrystalline diamond (UNCD) films were deposited by microwave plasma chemical vapor deposition, modified by UV/O-3 treatment or NH3 plasma, and comprehensively characterized with respect to their bulk and surface properties, such as crystallinity, topography, composition and chemical bonding nature. The interactions of insect circadian pacemaker neurons with UNCD surfaces with H-, O- and NH2-terminations were investigated with respect to cell density and viability. The fast and strong attachment achieved without application of adhesion proteins allowed for advantageous modification of dispersion protocols for the preparation of primary cell cultures. Centrifugation steps, which are employed for pelletizing dispersed cells to separate them from dispersing enzymes, easily damage neurons. Now centrifugation can be avoided since dispersed neurons quickly and strongly attach to the UNCD surfaces. Enzyme solutions can be easily washed off without losing many of the dispersed cells. No adverse effects on the cell viability and physiological responses were observed as revealed by calcium imaging. Furthermore, the enhanced attachment of the neurons, especially on the modified UNCD surfaces, was especially advantageous for the immunocytochemical procedures with the cell cultures. The cell losses during washing steps were significantly reduced by one order of magnitude in comparison to controls. In addition, the integration of a titanium grid structure under the UNCD films allowed for individual assignment of physiologically characterized neurons to immunocytochemically stained cells. Thus, employing UNCD surfaces free of foreign proteins improves cell culture protocols and immunocytochemistry with cultured cells. The fast and strong attachment of neurons was attributed to a favorable combination of topography, surface chemistry and wettability. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lausanne Editor  
  Language Wos 000376547700033 Publication Date 2016-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0928-4931 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.164 Times cited 7 Open Access  
  Notes Approved Most recent IF: 4.164  
  Call Number UA @ lucian @ c:irua:134164 Serial 4251  
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Author Lemoine, G.; Delannay, L.; Idrissi, H.; Colla, M.-S.; Pardoen, T. pdf  doi
openurl 
  Title Dislocation and back stress dominated viscoplasticity in freestanding sub-micron Pd films Type A1 Journal article
  Year (down) 2016 Publication Acta materialia Abbreviated Journal Acta Mater  
  Volume 111 Issue 111 Pages 10-21  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract A dislocation-based crystal plasticity model is developed in order to study the mechanical and creep/ relaxation behaviour of polycrystalline metallic thin films. The model accounts for the confinement of plasticity due to grain boundaries and for the anisotropy of individual grains, as well as for the significant viscoplastic effects associated to dislocation dominated thermally activated mechanisms. Numerical predictions are assessed based on experimental tensile test followed by relaxation on freestanding Pd films, based on an on-chip test technique. The dislocation-based mechanism assumption captures all the experimental trends, including the stress strain response, the relaxation behaviour and the dislocation density evolution, confirming the dominance of a dislocation driven deformation mechanism for the present Pd films with high defects density. The model has also been used to address some original experimental evidences involving back stresses, Bauschinger effect, backward creep and strain recovery. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000375812100002 Publication Date 2016-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.301 Times cited 6 Open Access  
  Notes Approved Most recent IF: 5.301  
  Call Number UA @ lucian @ c:irua:133636 Serial 4162  
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Author Chaves, A.; Mayers, M.Z.; Peeters, F.M.; Reichman, D.R. url  doi
openurl 
  Title Theoretical investigation of electron-hole complexes in anisotropic two-dimensional materials Type A1 Journal article
  Year (down) 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 115314  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Trions and biexcitons in anisotropic two-dimensional materials are investigated within an effective mass theory. Explicit results are obtained for phosphorene and arsenene, materials that share features such as a direct quasiparticle gap and anisotropic conduction and valence bands. Trions are predicted to have remarkably high binding energies and an elongated electron-hole structure with a preference for alignment along the armchair direction, where the effective masses are lower. We find that biexciton binding energies are also notably large, especially for monolayer phosphorene, where they are found to be twice as large as those for typical monolayer transition metal dichalcogenides.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000372715700001 Publication Date 2016-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 33 Open Access  
  Notes ; This work has been financially supported by CNPq, through the PRONEX/FUNCAP and Science Without Borders programs, the FWO-CNPq bilateral program between Brazil and Flanders, and the Lemann Foundation. M.Z.M. is supported by a fellowship from the National Science Foundation, under Grant No. DGE-11-44155. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:133191 Serial 4262  
Permanent link to this record
 

 
Author Roy, P.; Torun, E.; de Groot, R.A. url  doi
openurl 
  Title Effect of doping and elastic properties in (Mn,Fe)2(Si,P) Type A1 Journal article
  Year (down) 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages 094110  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Mixed magnetism (the coexistence of strong and weak magnetism in one material) is regarded as the origin of the giant magnetocaloric effect (GMCE). A good example is (Mn,Fe)(2)(Si,P), which is established as one of the best magnetocaloric materials available. Tuning the material properties are essential for optimizing its performance, and a straightforward way to do that is by doping. In this article, an ab initio electronic structure method was used to calculate the structure and magnetic properties of 3d-transition-metal-doped (Mn,Fe)(2)(Si,P) materials for magnetocaloric applications (transition metals are Cr, Co, Mn, Ni, Cu). For a steady performance, the material should be mechanically stable. A detailed analysis of the elastic constants shows that the mechanical stability of the (Mn,Fe)(2)(Si,P) system increases significantly by doping with boron without affecting the magnetic properties. Insights of the influence of doping enable future studies to understand and predict bettermagnetocaloric materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000372712100001 Publication Date 2016-03-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 9 Open Access  
  Notes ; This work is part of an Industrial Partnership Programme (IPP I28) of Fundamenteel Onderzoek der Materie (FOM) (The Netherlands) and co-financed by BASF New Business. The authors would like to thank Phuong Thao Nguyen and Dr. Gilles A. de Wijs for very useful discussions. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:133192 Serial 4164  
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Author Grunert, O.; Reheul, D.; Van Labeke, M.-C.; Perneel, M.; Hernandez-Sanabria, E.; Vlaeminck, S.E.; Boon, N. url  doi
openurl 
  Title Growing media constituents determine the microbial nitrogen conversions in organic growing media for horticulture Type A1 Journal article
  Year (down) 2016 Publication Microbial Biotechnology Abbreviated Journal  
  Volume 9 Issue 3 Pages 389-399  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Vegetables and fruits are an important part of a healthy food diet, however, the eco-sustainability of the production of these can still be significantly improved. European farmers and consumers spend an estimated Euro15.5 billion per year on inorganic fertilizers and the production of N-fertilizers results in a high carbon footprint. We investigated if fertilizer type and medium constituents determine microbial nitrogen conversions in organic growing media and can be used as a next step towards a more sustainable horticulture. We demonstrated that growing media constituents showed differences in urea hydrolysis, ammonia and nitrite oxidation and in carbon dioxide respiration rate. Interestingly, mixing of the growing media constituents resulted in a stimulation of the function of the microorganisms. The use of organic fertilizer resulted in an increase in amoA gene copy number by factor 100 compared to inorganic fertilizers. Our results support our hypothesis that the activity of the functional microbial community with respect to nitrogen turnover in an organic growing medium can be improved by selecting and mixing the appropriate growing media components with each other. These findings contribute to the understanding of the functional microbial community in growing media and its potential role towards a more responsible horticulture.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000374662600009 Publication Date 2016-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1751-7907 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:133617 Serial 8013  
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Author Mefford, J.T.; Rong, X.; Abakumov, A.M.; Hardin, W.G.; Dai, S.; Kolpak, A.M.; Johnston, K.P.; Stevenson, K.J. url  doi
openurl 
  Title Water electrolysis on La1-xSrxCoO3-\delta perovskite electrocatalysts Type A1 Journal article
  Year (down) 2016 Publication Nature communications Abbreviated Journal Nat Commun  
  Volume 7 Issue 7 Pages 11053  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Perovskite oxides are attractive candidates as catalysts for the electrolysis of water in alkaline energy storage and conversion systems. However, the rational design of active catalysts has been hampered by the lack of understanding of the mechanism of water electrolysis on perovskite surfaces. Key parameters that have been overlooked include the role of oxygen vacancies, B-O bond covalency, and redox activity of lattice oxygen species. Here we present a series of cobaltite perovskites where the covalency of the Co-O bond and the concentration of oxygen vacancies are controlled through Sr2+ substitution into La1 – xSrxCoO3 – delta. We attempt to rationalize the high activities of La1 – xSrxCoO3 – delta through the electronic structure and participation of lattice oxygen in the mechanism of water electrolysis as revealed through ab initio modelling. Using this approach, we report a material, SrCoO2.7, with a high, room temperature-specific activity and mass activity towards alkaline water electrolysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000372721700001 Publication Date 2016-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited 278 Open Access  
  Notes Financial support for this work was provided by the R.A. Welch Foundation (grants F-1529 and F-1319). X.R. and A.M.K. acknowledge support from the Skoltech-MIT Center for Electrochemical Energy Storage. Computations were performed using computational resources from XSEDE and NERSC. S.D. was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. We thank D.W. Redman for help with the RHE measurements. Approved Most recent IF: 12.124  
  Call Number UA @ lucian @ c:irua:133242 Serial 4276  
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