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Author Kiymaz, D.; Yagmurcukardes, M.; Tomak, A.; Sahin, H.; Senger, R.T.; Peeters, F.M.; Zareie, H.M.; Zafer, C. doi  openurl
  Title Controlled growth mechanism of poly (3-hexylthiophene) nanowires Type A1 Journal article
  Year 2016 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 27 Issue 27 Pages 455604  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Synthesis of 1D-polymer nanowires by a self-assembly method using marginal solvents is an attractive technique. While the formation mechanism is poorly understood, this method is essential in order to control the growth of nanowires. Here we visualized the time-dependent assembly of poly (3-hexyl-thiophene-2,5-diyl) (P3HT) nanowires by atomic force microscopy and scanning tunneling microscopy. The assembly of P3HT nanowires was carried out at room temperature by mixing cyclohexanone (CHN), as a poor solvent, with polymer solution in 1,2-dichlorobenzene (DCB). Both pi-pi stacking and planarization, obtained at the mix volume ratio of P3HT (in DCB):CHN (10:7), were considered during the investigation. We find that the length of nanowires was determined by the ordering of polymers in the polymer repetition direction. Additionally, our density functional theory calculations revealed that the presence of DCB and CHN molecules that stabilize the structural distortions due to tail group of polymers was essential for the core-wire formation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000386132600003 Publication Date 2016-10-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 24 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, the High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. HS is supported by a FWO Pegasus-Long Marie Curie Fellowship. HS and RTS acknowledge support from TUBITAK through Project No. 114F397. Also, DA is supported by the Scientific Research Project Fund of Ege University (Project Nr: 12GEE011). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:138159 Serial 4350  
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Author De Beule, C.; Ziani, N.T.; Zarenia, M.; Partoens, B.; Trauzettel, B. url  doi
openurl 
  Title Correlation and current anomalies in helical quantum dots Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages 155111  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We theoretically investigate the ground-state properties of a quantum dot defined on the surface of a strong three-dimensional time-reversal invariant topological insulator. Confinement is realized by ferromagnetic barriers and Coulomb interaction is treated numerically for up to seven electrons in the dot. Experimentally relevant intermediate interaction strengths are considered. The topological origin of the dot has several consequences: (i) spin polarization increases and the ground state exhibits quantum phase transitions at specific angular momenta as a function of interaction strength, (ii) the onset of Wigner correlations takes place mainly in one spin channel, and (iii) the ground state is characterized by a robust persistent current that changes sign as a function of the distance from the center of the dot.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000385242200001 Publication Date 2016-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 3 Open Access  
  Notes ; We thank F. Cavaliere, F. Crepin, C. Felser, and B. Yan for interesting discussions, and S. Curreli for performing the finite-element calculation of the magnetic field in COMSOL. C.D.B. and M.Z. are supported by the Flemish Research Foundation (FWO). N.T.Z. and B.T. acknowledge financial support by the DFG (SPP1666 and SFB1170 “ToCoTronics”), the Helmholtz Foundation (VITI), and the ENB Graduate School on “Topological Insulators.” ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:137234 Serial 4351  
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Author Mirzakhani, M.; Zarenia, M.; da Costa, D.R.; Ketabi, S.A.; Peeters, F.M. url  doi
openurl 
  Title Energy levels of ABC-stacked trilayer graphene quantum dots with infinite-mass boundary conditions Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages 165423  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the continuum model, we investigate the confined states and the corresponding wave functions of ABC-stacked trilayer graphene (TLG) quantum dots (QDs). First, a general infinite-mass boundary condition is derived and applied to calculate the electron and hole energy levels of a circular QD in both the absence and presence of a perpendicular magnetic field. Our analytical results for the energy spectra agree with those obtained by using the tight-binding model, where a TLG QD is surrounded by a staggered potential. Our findings show that (i) the energy spectrum exhibits intervalley symmetry E-K(e)(m) = -E-K'(h)(m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number, (ii) the zero-energy Landau level (LL) is formed by the magnetic states with m <= 0 for both Dirac valleys, that is different from monolayer and bilayer graphene QD with infinite-mass potential in which only one of the cones contributes, and (iii) groups of three quantum Hall edge states in the tight-binding magnetic spectrum approach the zero LL, which results from the layer symmetry in TLG QDs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000386168000011 Publication Date 2016-10-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 9 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Brazilian Council for Research (CNPq), the Science without Borders program, PRONEX/FUNCAP, and CAPES foundation. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:138174 Serial 4353  
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Author Stosic, D.; Stosic, D.; Ludermir, T.; Stosic, B.; Milošević, M.V. pdf  doi
openurl 
  Title GPU-advanced 3D electromagnetic simulations of superconductors in the Ginzburg-Landau formalism Type A1 Journal article
  Year 2016 Publication Journal of computational physics Abbreviated Journal J Comput Phys  
  Volume 322 Issue 322 Pages 183-198  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ginzburg-Landau theory is one of the most powerful phenomenological theories in physics, with particular predictive value in superconductivity. The formalism solves coupled nonlinear differential equations for both the electronic and magnetic responsiveness of a given superconductor to external electromagnetic excitations. With order parameter varying on the short scale of the coherence length, and the magnetic field being long-range, the numerical handling of 3D simulations becomes extremely challenging and time-consuming for realistic samples. Here we show precisely how one can employ graphics-processing units (GPUs) for this type of calculations, and obtain physics answers of interest in a reasonable time-frame – with speedup of over 100x compared to best available CPU implementations of the theory on a 2563grid. (C) 2016 Elsevier Inc. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York Editor  
  Language Wos 000381585100010 Publication Date 2016-06-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9991 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.744 Times cited 4 Open Access  
  Notes ; This work was supported through research grants from Brazilian agencies CNPq (306719/2012-6, 140840/2016-8) and FACEPE (IBPG-0510-1.03/15), BOF-UA, and the Research Foundation-Flanders (FWO-Vlaanderen). ; Approved Most recent IF: 2.744  
  Call Number UA @ lucian @ c:irua:137115 Serial 4354  
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Author Xiao, Y.M.; Xu, W.; Van Duppen, B.; Peeters, F.M. url  doi
openurl 
  Title Infrared to terahertz optical conductivity of n-type and p-type monolayer MoS2 in the presence of Rashba spin-orbit coupling Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages 155432  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the effect of Rashba spin-orbit coupling (SOC) on the optoelectronic properties of n- and p-type monolayer MoS2. The optical conductivity is calculated within the Kubo formalism. We find that the spin-flip transitions enabled by the Rashba SOC result in a wide absorption window in the optical spectrum. Furthermore, we evaluate the effects of the polarization direction of the radiation, temperature, carrier density, and the strength of the Rashba spin-orbit parameter on the optical conductivity. We find that the position, width, and shape of the absorption peak or absorption window can be tuned by varying these parameters. This study shows that monolayer MoS2 can be a promising tunable optical and optoelectronic material that is active in the infrared to terahertz spectral range.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000386097800003 Publication Date 2016-10-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 20 Open Access  
  Notes ; Y.M.X. acknowledges financial support from the China Scholarship Council (CSC). This work was also supported by the National Natural Science Foundation of China (Grant No. 11574319), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. B.V.D. is supported by a Ph.D. fellowship from the Flemish Science Foundation. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:138175 Serial 4355  
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Author Yagmurcukardes, M.; Senger, R.T.; Peeters, F.M.; Sahin, H. url  doi
openurl 
  Title Mechanical properties of monolayer GaS and GaSe crystals Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages 245407  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The mechanical properties of monolayer GaS and GaSe crystals are investigated in terms of their elastic constants: in-plane stiffness (C), Poisson ratio (nu), and ultimate strength (sigma(U)) by means of first-principles calculations. The calculated elastic constants are compared with those of graphene and monolayer MoS2. Our results indicate that monolayer GaS is a stiffer material than monolayer GaSe crystals due to the more ionic character of the Ga-S bonds than the Ga-Se bonds. Although their Poisson ratio values are very close to each other, 0.26 and 0.25 for GaS and GaSe, respectively, monolayer GaS is a stronger material than monolayer GaSe due to its slightly higher sU value. However, GaS and GaSe crystals are found to be more ductile and flexible materials than graphene and MoS2. We have also analyzed the band-gap response of GaS and GaSe monolayers to biaxial tensile strain and predicted a semiconductor-metal crossover after 17% and 14% applied strain, respectively, for monolayer GaS and GaSe. In addition, we investigated how the mechanical properties are affected by charging. We found that the flexibility of single layer GaS and GaSe displays a sharp increase under 0.1e/cell charging due to the repulsive interactions between extra charges located on chalcogen atoms. These charging-controllable mechanical properties of single layers of GaS and GaSe can be of potential use for electromechanical applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000389503400008 Publication Date 2016-12-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 108 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. R.T.S. acknowledges the support from TUBITAK through project 114F397. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:139229 Serial 4356  
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Author Van de Put, M.L. openurl 
  Title Modeling of quantum electron transport with applications in energy filtering nanostructures Type Doctoral thesis
  Year 2016 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN (up) Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:138752 Serial 4357  
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Author Khoeini, F.; Shakouri; Peeters, F.M. url  doi
openurl 
  Title Peculiar half-metallic state in zigzag nanoribbons of MoS2 : spin filtering Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages 125412  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Layered structures of molybdenum disulfide (MoS2) belong to a new class of two-dimensional (2D) semiconductor materials in which monolayers exhibit a direct band gap in their electronic spectrum. This band gap has recently been shown to vanish due to the presence of metallic edge modes when MoS2 monolayers are terminated by zigzag edges on both sides. Here, we demonstrate that a zigzag nanoribbon of MoS2, when exposed to an external exchange field in combination with a transverse electric field, has the potential to exhibit a peculiar half-metallic nature and thereby allows electrons of only one spin direction to move. The peculiarity of such spin-selective conductors originates from a spin switch near the gap-closing region, so the allowed spin orientation can be controlled by means of an external gate voltage. It is shown that the induced half-metallic phase is resistant to random fluctuations of the exchange field as well as the presence of edge vacancies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000383238800009 Publication Date 2016-09-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 38 Open Access  
  Notes ; ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:137130 Serial 4360  
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Author Tomak, A.; Bacaksiz, C.; Mendirek, G.; Sahin, H.; Hur, D.; Gorgun, K.; Senger, R.T.; Birer, O.; Peeters, F.M.; Zareie, H.M. pdf  doi
openurl 
  Title Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip Type A1 Journal article
  Year 2016 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume 27 Issue 27 Pages 335601  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000383780500012 Publication Date 2016-07-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 2 Open Access  
  Notes ; The authors acknowledge financial support from TUBITAK (PROJECT NO: 112T507). This work was also supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid-Infrastructure). HS is supported by an FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:137155 Serial 4363  
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Author Yagmurcukardes, M.; Torun, E.; Senger, R.T.; Peeters, F.M.; Sahin, H. url  doi
openurl 
  Title Mg(OH)2-WS2 van der Waals heterobilayer : electric field tunable band-gap crossover Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages 195403  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Magnesium hydroxide [Mg(OH)(2)] has a layered brucitelike structure in its bulk form and was recently isolated as a new member of two-dimensional monolayer materials. We investigated the electronic and optical properties of monolayer crystals of Mg(OH)(2) and WS2 and their possible heterobilayer structure by means of first-principles calculations. It was found that both monolayers of Mg(OH)(2) and WS2 are direct-gap semiconductors and these two monolayers form a typical van der Waals heterostructure with a weak interlayer interaction and a type-II band alignment with a staggered gap that spatially separates electrons and holes. We also showed that an out-of-plane electric field induces a transition from a staggered to a straddling-type heterojunction. Moreover, by solving the Bethe-Salpeter equation on top of single-shot G(0)W(0) calculations, we show that the low-energy spectrum of the heterobilayer is dominated by the intralyer excitons of the WS2 monolayer. Because of the staggered interfacial gap and the field-tunable energy-band structure, the Mg(OH)(2)-WS2 heterobilayer can become an important candidate for various optoelectronic device applications in nanoscale.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000386769400007 Publication Date 2016-11-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 38 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). H.S. is supported by a FWOPegasus Long Marie Curie Fellowship. H.S. and R.T.S. acknowledge support from TUBITAK through Project No. 114F397. H.S. acknowledges support from Bilim Akademisi – The Science Academy, Turkey, under the BAGEP program. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:138205 Serial 4364  
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Author Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Toniato, E.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Fornasiero, P.; pdf  doi
openurl 
  Title Iron-titanium oxide nanocomposites functionalized with gold particles : from design to solar hydrogen production Type A1 Journal article
  Year 2016 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces  
  Volume 3 Issue 3 Pages 1600348  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Hematite-titania nanocomposites, eventually functionalized with gold nanoparticles (NPs), are designed and developed by a plasma-assisted strategy, consisting in: (i) the plasma enhanced-chemical vapor deposition of -Fe2O3 on fluorine-doped tin oxide substrates; the radio frequency-sputtering of (ii) TiO2, and (iii) Au in controlled amounts. A detailed chemicophysical characterization, carried out through a multitechnique approach, reveals that the target materials are composed by interwoven -Fe2O3 dendritic structures, possessing a high porosity and active area. TiO2 introduction results in the formation of an ultrathin titania layer uniformly covering Fe2O3, whereas Au sputtering yields a homogeneous dispersion of low-sized gold NPs. Due to the intimate and tailored interaction between the single constituents and their optical properties, the resulting composite materials are successfully exploited for solar-driven applications. In particular, promising photocatalytic performances in H-2 production by reforming of water-ethanol solutions under simulated solar illumination are obtained. The related insights, presented and discussed in this work, can yield useful guidelines to boost the performances of nanostructured photocatalysts for energy-related applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000383783200021 Publication Date 2016-07-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2196-7350; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.279 Times cited 15 Open Access  
  Notes Approved Most recent IF: 4.279  
  Call Number UA @ lucian @ c:irua:137154 Serial 4389  
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Author Naik, P.V.; Wee, L.H.; Meledina, M.; Turner, S.; Li, Y.; Van Tendeloo, G.; Martens, J.A.; Vankelecom, I.F.J. pdf  doi
openurl 
  Title PDMS membranes containing ZIF-coated mesoporous silica spheres for efficient ethanol recovery via pervaporation Type A1 Journal article
  Year 2016 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A  
  Volume 4 Issue 4 Pages 12790-12798  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The design of functional micro- and mesostructured composite materials is significantly important for separation processes. Mesoporous silica is an attractive material for fast diffusion, while microporous zeolitic imidazolate frameworks (ZIFs) are beneficial for selective adsorption and diffusion. In this work, ZIF-71 and ZIF-8 nanocrystals were grown on the surface of mesoporous silica spheres (MSS) via the seeding and regrowth approach in order to obtain monodispersed MSS-ZIF-71 and MSS-ZIF-8 spheres with a particle size of 2-3 mm. These MSS-ZIF spheres were uniformly dispersed into a polydimethylsiloxane (PDMS) matrix to prepare mixed matrix membranes (MMMs). These MMMs were evaluated for the separation of ethanol from water via pervaporation. The pervaporation results reveal that the MSS-ZIF filled MMMs substantially improve the ethanol recovery in both aspects viz. flux and separation factor. These MMMs outperforms the unfilled PDMS membranes and the conventional carbon and zeolite filled MMMs. As expected, the mesoporous silica core allows very fast flow of the permeating compound, while the hydrophobic ZIF coating enhances the ethanol selectivity through its specific pore structure, hydrophobicity and surface chemistry. It can be seen that ZIF-8 mainly has a positive impact on the selectivity, while ZIF-71 enhances fluxes more significantly.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000382015100012 Publication Date 2016-07-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.867 Times cited 26 Open Access  
  Notes Approved Most recent IF: 8.867  
  Call Number UA @ lucian @ c:irua:137188 Serial 4395  
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Author Sena, R.P.; Hadermann, J.; Chin, C.-M.; Hunter, E.C.; Battle, P.D. url  doi
openurl 
  Title Structural chemistry and magnetic properties of the perovskite SrLa2Ni2TeO9 Type A1 Journal article
  Year 2016 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 243 Issue 243 Pages 304-311  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A polycrystalline sample of SrLa2Ni2TeO9 has been synthesized using a standard ceramic method and characterized by neutron diffraction, magnetometry and electron microscopy. The compound adopts a monoclinic, perovskite-like structure with space group P2(1)/n in and unit cell parameters a=5.6008(1), b = 5.5872(1), c=7.9018(2) angstrom, p=90.021(6)degrees at room temperature. The two crystallographically-distinct B sites are occupied by Ni2+ and Te6+ in ratios of 83:17 and 50:50. Both ac and dc magnetometry suggest that the compound is a spin glass below 35 K but the neutron diffraction data show that some regions of the sample are antiferromagnetic. Electron microscopy revealed twinning on a nanoscale and local variations in composition. These defects are thought to be responsible for the presence of two distinct types of antiferromagnetic ordering. (C) 2016 The Authors. Published by Elsevier Inc.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000384874100041 Publication Date 2016-09-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-4596 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.299 Times cited 6 Open Access  
  Notes Approved Most recent IF: 2.299  
  Call Number UA @ lucian @ c:irua:137232 Serial 4403  
Permanent link to this record
 

 
Author Zalfani, M.; Hu, Z.-Y.; Yu, W.-B.; Mahdouani, M.; Bourguiga, R.; Wu, M.; Li, Y.; Van Tendeloo, G.; Djoued, Y.; Su, B.-L. pdf  url
doi  openurl
  Title BiVo4/3DOM TiO2 nanocomposites : effect of BiVO4 as highly efficient visible light sensitizer for highly improved visible light photocatalytic activity in the degradation of dye pollutants Type A1 Journal article
  Year 2017 Publication Applied catalysis : B : environmental Abbreviated Journal Appl Catal B-Environ  
  Volume 205 Issue 205 Pages 121-132  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A series of BiVO4/3DOM TiO2 nanocomposites have been synthesized and their photocatalytic activity was investigated under visible light irradiation using the RhB dye as model pollutant molecule in an aqueous solution. The effect of the amount of BiVO4 as visible light sensitizer on the photocatalytic activity of BiVO4/3DOM TiO2 nanocomposites was highlighted. The heterostructured composite system leads to much higher photocatalytic efficiencies than bare 3DOM TiO2 and BiVO4 nanoparticles. As the proportion of BiVO4 in BiVO4/3DOM TiO2 nanocomposites increases from 0.04 to 0.6, the photocatalytic performance of the BiVO4/3DOM TiO2 nanocomposites increases and then decreases after reaching a maximum at 0.2. This improvement in photocatalytic perfomance is related to 1) the interfacial electron transfer efficiency between the coupled materials, 2) the 3DOM TiO2 inverse opal structure with interconnected pores providing an easy mass transfer of the reactant molecules and high accessibility to the active sites and large surface area and 3) the effect of light sensitizer of BiVO4. Intensive studies on structural, textural, optical and surface properties reveal that the electronic interactions between BiVO4 and TiO2 lead to an improved charge separation of the coupled BiVO4/TiO2 system. The photogenerated charge carrier densities increase with increasing the BiVO4 content, which acts as visible light sensitizer to the TiO2 and is responsible for the enhancement in the rate of photocatalytic degradation. However, the photocatalytic activity is reduced when the BiVO4 amount is much higher than that of 3DOM TiO2. Two reasons could account for this behavior. First, with increasing BiVO4 content, the photogenerated electron/hole pairs are accumulated at the surface of the BiVO4 nanoparticles and the recombination rate increases as shown by the PL results. Second, decreasing the amount of 3DOM TiO2 in the nanocomposite decreases the surface area as shown by the BET results. Moreover, the poor adsorptive properties of the BiVO4 photocatalyst also affect the photocatalytic performance, in particular at higher BiVO4 content. The present work demonstrates that BiVO4/3DOM TiO2 is a very promising heterojunction system for visible light photocatalytic applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000393931000013 Publication Date 2016-12-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-3373 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.446 Times cited 52 Open Access OpenAccess  
  Notes ; This work was realized with the financial support of Chinese Ministry of Education in a framework of the Changjiang Scholar Innovative Research Team Program (IRT_15R52). B. L. Su acknowledges the Chinese Central Government for an “Expert of the State” position in the Program of the “Thousand Talents” and a Clare Hall Life Member, University of Cambridge. Y. Li acknowledges Hubei Provincial Department of Education for the “Chutian Scholar” program. This work is also supported by PhD Programs Foundation (20120143120019) of Chinese Ministry of Education, the Wuhan Youth Chenguang Program of Science and Technology (2013070104010003), Hubei Provincial Natural Science Foundation (2014CFB160, 2015CFB516), the National Science Foundation for Young Scholars of China (No. 51502225) and Self-determined and Innovative Research Funds of the SKLWUT (2015-ZD-7). MZ thanks the scholarship support from the Laboratory of Inorganic Materials Chemistry ay the University of Namur. Z. Y. Hu and G. Van Tendeloo acknowledge support from the EC Framework 7 program ESTEEM2 (Reference 312483). This research used resources of the Electron Microscopy Service located at the University of Namur. This Service is member of the “Plateforme Technologique Morphologie – Imagerie”. The XPS analyses were made in the LISE, Department of Physics of University of Namur thanks to Dr. P. Louette. XRD measurements, UV-vis and photoluminescent spectroscopic analyses and N<INF>2</ INF> adsorption-desorption measurements were made with the facility of the “Plateforme Technologique Physico-Chimique”. ; Approved Most recent IF: 9.446  
  Call Number UA @ lucian @ c:irua:138601 Serial 4405  
Permanent link to this record
 

 
Author Cui, J.; Faria, M.; Bjornmalm, M.; Ju, Y.; Suma, T.; Gunawan, S.T.; Richardson, J.J.; Heidar, H.; Bals, S.; Crampin, E.J.; Caruso, F. pdf  doi
openurl 
  Title A framework to account for sedimentation and diffusion in particle-cell interactions Type A1 Journal article
  Year 2016 Publication Langmuir: the ACS journal of surfaces and colloids Abbreviated Journal Langmuir  
  Volume 32 Issue 32 Pages 12394-12402  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In vitro experiments provide a solid basis for understanding the interactions between particles and biological systems. An important confounding variable for these studies is the difference between the amount of particles administered and that which reaches the surface of cells. Here, we engineer a hydrogel-based nanoparticle system and combine in situ characterization techniques, 3D-printed cell cultures, and computational modeling to evaluate and study particle cell interactions of advanced particle systems. The framework presented demonstrates how sedimentation and diffusion can explain differences in particle cell association, and provides a means to account for these effects. Finally, using in silico modeling, we predict the proportion of particles that reaches the cell surface using common experimental conditions for a wide range of inorganic and organic micro- and nanoparticles. This work can assist in the understanding and control of sedimentation and diffusion when investigating cellular interactions of engineered particles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000389117600017 Publication Date 2016-07-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0743-7463 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.833 Times cited 40 Open Access Not_Open_Access  
  Notes ; This work was supported by the Australian Research Council (ARC) under the Australian Laureate Fellowship scheme (F.C., FL120100030), the Australian Government through an Australian Postgraduate Award (M.B.), and the ARC Centre of Excellence in Convergent Bio-Nano Science and Technology (Project Number CE140100036). This work was performed in part at the Materials Characterization and Fabrication Platform (MCFP) at the University of Melbourne and the Victorian Node of the Australian National Fabrication Facility (ANFF). ; Approved Most recent IF: 3.833  
  Call Number UA @ lucian @ c:irua:139210 Serial 4438  
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Author Li, M.-R.; Deng, Z.; Lapidus, S.H.; Stephens, P.W.; Segre, C.U.; Croft, M.; Sena, R.P.; Hadermann, J.; Walker, D.; Greenblatt, M. pdf  doi
openurl 
  Title Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9: in Search of Jahn-Teller Distorted Cr(II) Oxide Type A1 Journal article
  Year 2016 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 55 Issue 55 Pages 10135-10142  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A novel 6H-type hexagonal perovskite Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 was prepared at high pressure (6 GPa) and temperature (1773 K). Both transmission electron microscopy and synchrotron powder X-ray diffraction data demonstrate that Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 crystallizes in P6(3)/mmc with face-shared (Cr0.97(1)Te0.03(1))O-6 octahedral pairs interconnected with TeO6 octahedra via corner-sharing. Structure analysis shows a mixed Cr2+/Cr3+ valence state with similar to 10% Cr2+. The existence of Cr2+ in Ba-3(Cr0.10(1)2+Cr0.87(1)3+Te0.036+)(2)TeO9 is further evidenced by X-ray absorption near-edge spectroscopy. Magnetic properties measurements show a paramagnetic response down to 4 K and a small glassy-state curvature at low temperature. In this work, the octahedral Cr2+O6 component is stabilized in an oxide material for the first time; the expected Jahn-Teller distortion of high-spin (d(4)) Cr2+ is not found, which is attributed to the small proportion of Cr2+ (similar to 10%) and the face-sharing arrangement of CrO6 octahedral pairs, which structurally disfavor axial distortion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Easton, Pa Editor  
  Language Wos 000385785700026 Publication Date 2016-09-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.857 Times cited 2 Open Access  
  Notes Approved Most recent IF: 4.857  
  Call Number UA @ lucian @ c:irua:140313 Serial 4440  
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Author Eleftheriadis, G.K.; Filippousi, M.; Tsachouridou, V.; Darda, M.-A.; Sygellou, L.; Kontopoulou, I.; Bouropoulos, N.; Steriotis, T.; Charalambopoulou, G.; Vizirianakis, I.S.; Van Tendeloo, G.; Fatouros, D.G. pdf  url
doi  openurl
  Title Evaluation of mesoporous carbon aerogels as carriers of the non-steroidal anti-inflammatory drug ibuprofen Type A1 Journal article
  Year 2016 Publication International journal of pharmaceutics Abbreviated Journal Int J Pharmaceut  
  Volume 515 Issue 515 Pages 262-270  
  Keywords A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT)  
  Abstract Towards the development of novel drug carriers for oral delivery of poorly soluble drugs mesoporous aerogel carbons (CAs), namely CA10 and CA20 with different pore sizes (10 and 20 nm, respectively), were evaluated. The non-steroidal anti-inflammatory lipophilic compound ibuprofen was incorporated via passive loading. The drug loaded carbon aerogels were systemically investigated by means of High-Resolution Transmission Electron Microscopy (HR-TEM), Nitrogen physisorption studies, X-ray diffraction (XRD), Differential Scanning Calorimetry (DSC), X-ray photon electron spectroscopy (XPS) and zeta-potential studies. In vitro release studies were performed in simulated intestinal fluids reflecting both fasted (FaSSIF) and fed (FeSSIF) state conditions. Cytotoxicity studies were conducted with human intestinal cells (Caco-2). Drug was in an amorphous state in the pores of the carbon carrier as shown from the physicochemical characterization studies. The results showed marked differences in the release profiles for ibuprofen from the two aerogels in the media tested whereas in vitro toxicity profiles appear to be compatible with potential therapeutic applications at low concentrations. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000389150700024 Publication Date 2016-10-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-5173 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.649 Times cited 7 Open Access  
  Notes Approved Most recent IF: 3.649  
  Call Number UA @ lucian @ c:irua:140231 Serial 4441  
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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 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 (up) 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  
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Author Janssens, K.; van der Snickt, G.; Vanmeert, F.; Legrand, S.; Nuyts, G.; Alfeld, M.; Monico, L.; Anaf, W.; de Nolf, W.; Vermeulen, M.; Verbeeck, J.; De Wael, K. pdf  doi
openurl 
  Title Non-invasive and non-destructive examination of artistic pigments, paints, and paintings by means of X-Ray methods Type A1 Journal article
  Year 2016 Publication Topics in Current Chemistry Abbreviated Journal Topics Curr Chem  
  Volume 374 Issue 374 Pages 81  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Recent studies are concisely reviewed, in which X-ray beams of (sub)micrometre to millimetre dimensions have been used for non-destructive analysis and characterization of pigments, minute paint samples, and/or entire paintings from the seventeenth to the early twentieth century painters. The overview presented encompasses the use of laboratory and synchrotron radiation-based instrumentation and deals with the use of several variants of X-ray fluorescence (XRF) as a method of elemental analysis and imaging, as well as with the combined use of X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Microscopic XRF is a variant of the method that is well suited to visualize the elemental distribution of key elements, mostly metals, present in paint multi-layers, on the length scale from 1 to 100 μm inside micro-samples taken from paintings. In the context of the characterization of artists pigments subjected to natural degradation, the use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that have taken place. However, at synchrotron facilities, combinations of μ-XRF with related methods such as μ-XAS and μ-XRD have proven themselves to be very suitable for such studies. Their use is often combined with microscopic Fourier transform infra-red spectroscopy and/or Raman microscopy since these methods deliver complementary information of high molecular specificity at more or less the same length scale as the X-ray microprobe techniques. Since microscopic investigation of a relatively limited number of minute paint samples, taken from a given work of art, may not yield representative information about the entire artefact, several methods for macroscopic, non-invasive imaging have recently been developed. Those based on XRF scanning and full-field hyperspectral imaging appear very promising; some recent published results are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Springer international publishing ag Place of Publication Cham Editor  
  Language Wos 000391178900006 Publication Date 2016-11-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2365-0869;2364-8961; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.033 Times cited 50 Open Access  
  Notes ; ; Approved Most recent IF: 4.033  
  Call Number UA @ lucian @ c:irua:139930UA @ admin @ c:irua:139930 Serial 4443  
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Author Zhang, F.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Naert, I.; Van Meerbeek, B.; Vleugels, J. pdf  doi
openurl 
  Title Strength, toughness and aging stability of highly-translucent Y-TZP ceramics for dental restorations Type A1 Journal article
  Year 2016 Publication Dental materials Abbreviated Journal Dent Mater  
  Volume 32 Issue 12 Pages E327-E337  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Objective. The aim was to evaluate the optical properties, mechanical properties and aging stability of yttria-stabilized zirconia with different compositions, highlighting the influence of the alumina addition, Y2O3 content and La2O3 doping on the translucency. Methods. Five different Y-TZP zirconia powders (3 commercially available and 2 experimentally modified) were sintered under the same conditions and characterized by X-ray diffraction with Rietveld analysis and scanning electron microscopy (SEM). Translucency (n = 6/group) was measured with a color meter, allowing to calculate the translucency parameter (TP) and the contrast ratio (CR). Mechanical properties were appraised with four-point bending strength (n = 10), single edge V-notched beam (SEVNB) fracture toughness (n = 8) and Vickers hardness (n = 10). The aging stability was evaluated by measuring the tetragonal to monoclinic transformation (n = 3) after accelerated hydrothermal aging in steam at 134 degrees C, and the transformation curves were fitted by the Mehl-Avrami-Johnson (MAJ) equation. Data were analyzed by one-way ANOVA, followed by Tukey's HSD test (alpha = 0.05). Results. Lowering the alumina content below 0.25 wt.% avoided the formation of alumina particles and therefore increased the translucency of 3Y-TZP ceramics, but the hydrothermal aging stability was reduced. A higher yttria content (5 mol%) introduced about 50% cubic zirconia phase and gave rise to the most translucent and aging-resistant Y-TZP ceramics, but the fracture toughness and strength were considerably sacrificed. 0.2 mol% La2O3 doping of 3Y-TZP tailored the grain boundary chemistry and significantly improved the aging resistance and translucency. Although the translucency improvement by La2O3 doping was less effective than for introducing a substantial amount of cubic zirconia, this strategy was able to maintain the mechanical properties of typical 3Y-TZP ceramics. Significance. Three different approaches were compared to improve the translucency of 3YTZP ceramics. (C) 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Copenhagen Editor  
  Language Wos 000389516400003 Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0109-5641 ISBN (up) Additional Links UA library record; WoS full record  
  Impact Factor 4.07 Times cited 47 Open Access  
  Notes Approved Most recent IF: 4.07  
  Call Number UA @ lucian @ c:irua:140246 Serial 4447  
Permanent link to this record
 

 
Author Bez, R.; Zehani, K.; Batuk, M.; Van Tendeloo, G.; Mliki, N.; Bessais, L. doi  openurl
  Title Structure and magnetic properties of Sm(Fe,Si)(9)C/alpha-Fe nanocomposite magnets Type A1 Journal article
  Year 2017 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd  
  Volume 695 Issue 695 Pages 810-817  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract SmFe8.75 Si-0.25 C/alpha-Fe nanocomposites have been successfully synthesized using high energy milling, followed by annealing at 750 degrees C. The crystal structure of these compounds was characterized by the Rietveld method using powder X-ray diffraction data. By increasing the concentration of Sm, we observed a decrease in the amount of alpha-Fe phase. The morphology of the samples was determined by scanning and transmission electron microscopy. The average grain size is about 20 nm. The magnetic properties were investigated at room temperature and at 10 K. A ferromagnetic behavior was observed in all samples at both temperatures. An increase of the soft magnetic phase alpha-Fe induced an increase in the magnetization and a decrease in coercivity. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000391817600098 Publication Date 2016-10-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-8388 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.133 Times cited 1 Open Access Not_Open_Access  
  Notes ; This work is main supported by the CNRS and the “Ministere de l'Enseignement Superieur, de la Recherche Scientifique” (LR99ES17) (Tunisia), PHC-Utique (Project 11/G 1301) and PHC-Maghreb (Project 15MAG07). The authors acknowledge the French SIE doctoral school of the University Paris Est for its support. ; Approved Most recent IF: 3.133  
  Call Number UA @ lucian @ c:irua:140380 Serial 4448  
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Author Ryabova, A.S.; Bonnefont, A.; Zagrebin, P.; Poux, T.; Sena, R.P.; Hadermann, J.; Abakumov, A.M.; Kerangueven, G.; Istomin, S.Y.; Antipov, E.V.; Tsirlina, G.A.; Savinova, E.R. doi  openurl
  Title Study of hydrogen peroxide reactions on manganese oxides as a tool to decode the oxygen reduction reaction mechanism Type A1 Journal article
  Year 2016 Publication ChemElectroChem Abbreviated Journal Chemelectrochem  
  Volume 3 Issue 3 Pages 1667-1677  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Hydrogen peroxide has been detected as a reaction intermediate in the electrochemical oxygen reduction reaction (ORR) on transition-metal oxides and other electrode materials. In this work, we studied the electrocatalytic and catalytic reactions of hydrogen peroxide on a set of Mn oxides, Mn2O3, MnOOH, LaMnO3, MnO2, and Mn3O4, that adopt different crystal structures to shed light on the mechanism of the ORR on these materials. We then combined experiment with kinetic modeling with the objective to correlate the differences in the ORR activity to the kinetics of the elementary reaction steps, and we uncovered the importance of structural and compositional factors in the catalytic activity of the Mn oxides. We concluded that the exceptional activity of Mn2O3 in the ORR is due to its high catalytic activity both in the reduction of oxygen to hydrogen peroxide and in the decomposition of the latter, and furthermore, we proposed a tentative link between crystal structure and reactivity.  
  Address  
  Corporate Author Thesis  
  Publisher Wiley Place of Publication Place of publication unknown Editor  
  Language Wos 000388377200019 Publication Date 2016-07-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2196-0216 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.136 Times cited 20 Open Access  
  Notes Approved Most recent IF: 4.136  
  Call Number UA @ lucian @ c:irua:139202 Serial 4449  
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Author Kuno, Y.; Tassel, C.; Fujita, K.; Batuk, D.; Abakumov, A.M.; Shitara, K.; Kuwabara, A.; Moriwake, H.; Watabe, D.; Ritter, C.; Brown, C.M.; Yamamoto, T.; Takeiri, F.; Abe, R.; Kobayashi, Y.; Tanaka, K.; Kageyama, H. pdf  doi
openurl 
  Title ZnTaO2N: Stabilized High-Temperature LiNbO3-type Structure Type A1 Journal article
  Year 2016 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 138 Issue 138 Pages 15950-15955  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract By using a high-pressure reaction, we prepared a new oxynitride ZnTaO2N that crystallizes in a centrosymmetric (R (3) over barc) high-temperature LiNbO3-type structure (HTLN-type). The stabilization of the HTLN-type structure down to low temperatures (at least 20 K) makes it possible to investigate not only the stability of this phase, but also the phase transition to a noncentrosymmetric (R3c) LiNbO3-type structure (LN-type) which is yet to be clarified. Synchrotron and neutron diffraction studies in combination with transmission electron microscopy show that Zn is located at a disordered 12c site instead of 6a, implying an order disorder mechanism of the phase transition. It is found that the dosed d-shell of Zn2+, as well as the high-valent Ta5+ ion, is responsible for the stabilization of the HTLN-type structure, affording a novel quasitriangular ZnO2N coordination. Interestingly, only 3% Zn substitution for MnTaO2N induces a phase transition from LN- to HTLN-type structure, implying the proximity in energy between the two structural types, which is supported by the first-principles calculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000389962800032 Publication Date 2016-11-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 13 Open Access  
  Notes Approved Most recent IF: 13.858  
  Call Number UA @ lucian @ c:irua:140298 Serial 4452  
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Author Klimin, S.N.; Tempère, J.; Misko, V.R.; Wouters, M. doi  openurl
  Title Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film Type A1 Journal article
  Year 2016 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B  
  Volume 89 Issue 89 Pages 172  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract Electrons on liquid helium can form different phases depending on density, and temperature. Also the electron-ripplon coupling strength influences the phase diagram, through the formation of so-called “ripplonic polarons”, that change how electrons are localized, and that shifts the transition between the Wigner solid and the liquid phase. We use an all-coupling, finite-temperature variational method to study the formation of a ripplopolaron Wigner solid on a liquid helium film for different regimes of the electron-ripplon coupling strength. In addition to the three known phases of the ripplopolaron system (electron Wigner solid, polaron Wigner solid, and electron fluid), we define and identify a fourth distinct phase, the ripplopolaron liquid. We analyse the transitions between these four phases and calculate the corresponding phase diagrams. This reveals a reentrant melting of the electron solid as a function of temperature. The calculated regions of existence of the Wigner solid are in agreement with recent experimental data.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Berlin Editor  
  Language Wos 000391225200001 Publication Date 2016-07-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1434-6028 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.461 Times cited 1 Open Access  
  Notes ; We thank A.S. Mishchenko and D.G. Rees for valuable discussions. This research has been supported by the Flemish Research Foundation (FWO-Vl), Project Nos. G.0115.12N, G.0119.12N, G.0122.12N, G.0429.15N, by the Scientific Research Network of the Research Foundation-Flanders, WO.033.09N, and by the Research Fund of the University of Antwerp. ; Approved Most recent IF: 1.461  
  Call Number UA @ lucian @ c:irua:140351 Serial 4454  
Permanent link to this record
 

 
Author Neilson, D.; Perali, A.; Zarenia, M. url  doi
openurl 
  Title Many-body electron correlations in graphene Type P1 Proceeding
  Year 2016 Publication (mbt18) Abbreviated Journal  
  Volume 702 Issue 702 Pages 012008  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional electron nanoribbons with tuneable band gaps that can be switched on by gates, should exhibit new many-body phenomena that have long been predicted for the regions of phase space where the average Coulomb repulsions between electrons dominate over their Fermi energies. In electron nanoribbons a few nanometres wide etched in monolayers of graphene, the quantum size effects and the van Hove singularities in their density of states further act to enhance electron correlations. For graphene multilayers or nanoribbons in a double unit electron-hole geometry, it is possible for the many-body electron-hole correlations to be made strong enough to stabilise high-temperature electron- hole superfluidity.  
  Address  
  Corporate Author Thesis  
  Publisher Iop publishing ltd Place of Publication Bristol Editor  
  Language Wos 000389756000008 Publication Date 2016-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 702 Series Issue Edition  
  ISSN 1742-6588; 1742-6596 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 3 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:140268 Serial 4455  
Permanent link to this record
 

 
Author Fernández Becerra, V.; Milošević, M.V. url  doi
openurl 
  Title Multichiral ground states in mesoscopic p-wave superconductors Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages 184517  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using Ginzburg-Landau formalism, we investigate the effect of confinement on the ground state of mesoscopic chiral p-wave superconductors in the absence of magnetic field. We reveal stable multichiral states with domain walls separating the regions with different chiralities, as well as monochiral states with spontaneous currents flowing along the edges. We show that multichiral states can exhibit identifying signatures in the spatial profile of the magnetic field if those are not screened by edge currents in the case of strong confinement. Such magnetic detection of domain walls in topological superconductors can serve as long-sought evidence of broken time-reversal symmetry. Furthermore, when applying electric current to mesoscopic p-wave samples, we found a hysteretic behavior in the current-voltage characteristic that distinguishes states with and without domain walls, thereby providing another useful hallmark for indirect confirmation of chiral p-wave superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000388816700001 Publication Date 2016-11-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 7 Open Access  
  Notes ; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen), the COST-EU action MP1201, and the MultiSuper network. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:139241 Serial 4456  
Permanent link to this record
 

 
Author Yagmurcukardes, M.; Peeters, F.M.; Senger, R.T.; Sahin, H. url  doi
openurl 
  Title Nanoribbons: From fundamentals to state-of-the-art applications Type A1 Journal article
  Year 2016 Publication Applied physics reviews Abbreviated Journal Appl Phys Rev  
  Volume 3 Issue 3 Pages 041302  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Atomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed. Observation of substrate-independent quantum well states, edge and width dependent properties, the topological phase of silicene NRs are reviewed. In addition, H-2 concentration-dependent transport properties and anisotropic dielectric function of GeNRs and electric field and strain sensitive I-V characteristics of SnNRs are reviewed. We review both experimental and theoretical studies on the NRs of group III-V compounds. While defect and N-termination dependent conductance are highlighted for boron nitride NRs, aluminum nitride NRs are of importance due to their dangling bond, electric field, and strain dependent electronic and magnetic properties. Finally, superlattice structure of NRs of GaN/AlN, Si/Ge, G/BN, and MoS2/WS2 is reviewed. Published by AIP Publishing.  
  Address  
  Corporate Author Thesis  
  Publisher Amer inst physics Place of Publication Melville Editor  
  Language Wos 000390443800013 Publication Date 2016-11-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1931-9401 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.667 Times cited 63 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges the support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. R.T.S. acknowledges the support from TUBITAK through Project No. 114F397. F.M.P. was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; Approved Most recent IF: 13.667  
  Call Number UA @ lucian @ c:irua:140299 Serial 4457  
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Author Iyikanat, F.; Senger, R.T.; Peeters, F.M.; Sahin, H. pdf  url
doi  openurl
  Title Quantum-Transport Characteristics of a p-n Junction on Single-Layer TiS3 Type A1 Journal article
  Year 2016 Publication ChemPhysChem : a European journal of chemical physics and physical chemistry Abbreviated Journal Chemphyschem  
  Volume 17 Issue 17 Pages 3985-3991  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By using density functional theory and non-equilibrium Green's function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p-n junction. We constructed a lateral p-n junction on a TiS3 monolayer using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 p-n junction. In addition, the spin-dependent current-volt-age characteristics of the constructed TiS3 p-n junction were analyzed. Important device characteristics were found, such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 p-n junction. These prominent conduction properties of the TiS3 p-n junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000389534800018 Publication Date 2016-09-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1439-4235 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.075 Times cited 12 Open Access  
  Notes ; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and the Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). FI, HS, and RTS acknowledge the support from TUBITAK Project No 114F397. H.S. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; Approved Most recent IF: 3.075  
  Call Number UA @ lucian @ c:irua:140245 Serial 4458  
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Author Petrovic, M.D.; Peeters, F.M. url  doi
openurl 
  Title Quantum transport in graphene Hall bars: Effects of vacancy disorder Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages 235413  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the tight-binding model, we investigate the influence of vacancy disorder on electrical transport in graphene Hall bars in the presence of quantizing magnetic fields. Disorder, induced by a random distribution of monovacancies, breaks the graphene sublattice symmetry and creates states localized on the vacancies. These states are observable in the bend resistance, as well as in the total DOS. Their energy is proportional to the square root of the magnetic field, while their localization length is proportional to the cyclotron radius. At the energies of these localized states, the electron current flows around the monovacancies and, as we show, it can follow unexpected paths depending on the particular arrangement of vacancies. We study how these localized states change with the vacancy concentration, and what are the effects of including the next-nearest-neighbor hopping term. Our results are also compared with the situation when double vacancies are present in the system. Double vacancies also induce localized states, but their energy and magnetic field dependencies are different. Their localization energy scales linearly with the magnetic field, and their localization length appears not to depend on the field strength.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000389574200005 Publication Date 2016-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 14 Open Access  
  Notes ; This work was supported by the Methusalem program of the Flemish government. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:140237 Serial 4459  
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Author Cariglia, M.; Vargas-Paredes, A.; Doria, M.M.; Bianconi, A.; Milošević, M.V.; Perali, A. doi  openurl
  Title Shape-Resonant Superconductivity in Nanofilms: from Weak to Strong Coupling Type A1 Journal article
  Year 2016 Publication Journal of superconductivity and novel magnetism Abbreviated Journal J Supercond Nov Magn  
  Volume 29 Issue 29 Pages 3081-3086  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ultrathin superconductors of different materials are becoming a powerful platform to find mechanisms for enhancement of superconductivity, exploiting shape resonances in different superconducting properties. Here, we evaluate the superconducting gap and its spatial profile, the multiple gap components, and the chemical potential, of generic superconducting nanofilms, considering the pairing attraction and its energy scale as tunable parameters, from weak to strong coupling, at fixed electron density. Superconducting properties are evaluated at mean field level as a function of the thickness of the nanofilm, in order to characterize the shape resonances in the superconducting gap. We find that the most pronounced shape resonances are generated for weakly coupled superconductors, while approaching the strong coupling regime the shape resonances are rounded by a mixing of the subbands due to the large energy gaps extending over large energy scales. Finally, we find that the spatial profile, transverse to the nanofilm, of the superconducting gap acquires a flat behavior in the shape resonance region, indicating that a robust and uniform multigap superconducting state can arise at resonance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000390030600016 Publication Date 2016-08-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1557-1939 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.18 Times cited 11 Open Access  
  Notes ; We acknowledge D. Valentinis, D. Van der Marel, and C. Berthod for useful discussions. A. Ricci is also acknowledged for his comments on the experimental detection of the predictions of this paper. A. Bianconi acknowledges financial support from Superstripes non-profit organization. M. Cariglia acknowledges CNPq support from project (205029 / 2014-0) and FAPEMIG support from project APQ-02164-14. M.M. Doria acknowledges CNPq support from funding (23079.014992 / 2015-39). M.V. Milosevic acknowledges support from Research Foundation – Flanders (FWO). A. Perali acknowledges financial support from the University of Camerino under the project FAR “Control and enhancement of superconductivity by engineering materials at the nanoscale”. All authors acknowledge the collaboration within the MultiSuper Network (http://www.multisuper.org) for exchange of ideas and suggestions. ; Approved Most recent IF: 1.18  
  Call Number UA @ lucian @ c:irua:140347 Serial 4461  
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