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Author Kiymaz, D.; Yagmurcukardes, M.; Tomak, A.; Sahin, H.; Senger, R.T.; Peeters, F.M.; Zareie, H.M.; Zafer, C.
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.
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 Moldovan, D.
Title Electronic properties of strained graphene and supercritical charge centers 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:135792 Serial 4352
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Author Mirzakhani, M.; Zarenia, M.; da Costa, D.R.; Ketabi, S.A.; Peeters, F.M.
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.
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.
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.
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.
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 Verreck, D.; Verhulst, A.S.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G.
Title Non-uniform strain in lattice-mismatched heterostructure tunnel field-effect transistors Type P1 Proceeding
Year 2016 Publication Solid-State Device Research (ESSDERC), European Conference T2 – 46th European Solid-State Device Research Conference (ESSDERC) / 42nd, European Solid-State Circuits Conference (ESSCIRC), SEP 12-15, 2016, Lausanne, SWITZERLAND Abbreviated Journal
Volume Issue Pages 412-415
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract Because of its localized impact on the band structure, non-uniform strain at the heterojunction between lattice-mismatched materials has the potential to significantly enlarge the design space for tunnel-field effect transistors (TFET). However, the impact of a complex strain profile on TFET performance is difficult to predict. We have therefore developed a 2D quantum mechanical transport formalism capable of simulating the effects of a general non-uniform strain. We demonstrate the formalism for the GaAsxSb(1-x)/InyGa(1-y) As system and show that a performance improvement over a lattice-matched reference is indeed possible, allowing for relaxed requirements on the source doping. We also point out that the added design parameter of mismatch is not free, but limited by the desired effective bandgap at the tunnel junction.
Address
Corporate Author Thesis
Publisher Ieee Place of Publication New york Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-5090-2969-3 ISBN (up) Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:138233 Serial 4358
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Author Fatima; Oguz, I.C.; Çakir, D.; Hossain, S.; Mohottige, R.; Gulseren, O.; Oncel, N.
Title On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 120 Issue 120 Pages 095303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires. Published by AIP Publishing.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000383978100030 Publication Date 2016-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 7 Open Access
Notes ; We gratefully acknowledge the NSF (Grant No. DMR-1306101) for financial support. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; Approved Most recent IF: 2.068
Call Number UA @ lucian @ c:irua:137132 Serial 4359
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Author Khoeini, F.; Shakouri; Peeters, F.M.
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 Callewaert, V.; Shastry, K.; Saniz, R.; Makkonen, I.; Barbiellini, B.; Assaf, B.A.; Heiman, D.; Moodera, J.S.; Partoens, B.; Bansil, A.; Weiss, A.H.;
Title Positron surface state as a spectroscopic probe for characterizing surfaces of topological insulator materials Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages 115411
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Topological insulators are attracting considerable interest due to their potential for technological applications and as platforms for exploring wide-ranging fundamental science questions. In order to exploit, fine-tune, control, and manipulate the topological surface states, spectroscopic tools which can effectively probe their properties are of key importance. Here, we demonstrate that positrons provide a sensitive probe for topological states and that the associated annihilation spectrum provides a technique for characterizing these states. Firm experimental evidence for the existence of a positron surface state near Bi2Te2Se with a binding energy of E-b = 2.7 +/- 0.2 eV is presented and is confirmed by first-principles calculations. Additionally, the simulations predict a significant signal originating from annihilation with the topological surface states and show the feasibility to detect their spin texture through the use of spin-polarized positron beams.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000383232800012 Publication Date 2016-09-06
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 15 Open Access
Notes ; I.M. acknowledges discussions with M. Ervasti and A. Harju. V.C. and R.S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. The computational resources and services used in this paper were, in part, provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government (EWI Department). I.M. acknowledges financial support from the Academy of Finland (Projects No. 285809 and No. 293932). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC) and the NERSC supercomputing center through DOE Grant No. DE-AC02-05CH11231. K.S. and A.W. acknowledge financial support from the National Science Foundation through Grants No. DMR-MRI-1338130 and No. DMR-1508719. D.H. received financial support from the National Science Foundation (Grant No. ECCS-1402738). J.S.M. was supported by the STC Center for Integrated Quantum Materials under NSF Grants No. DMR-1231319, No. DMR-1207469, and ONR Grant No. N00014-13-1-0301. B.A.A. also acknowledges support from the LabEx ENS-ICFP Grant No. ANR-10-LABX-0010/ANR-10-IDEX-0001-02 PSL. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:137134 Serial 4362
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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.
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.
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
Permanent link to this record
 
 
Author Shumilin, A.V.; Baranov, V.V.; Kabanov, V.V.
Title Upper critical field in the model with finite-range interaction between electrons Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 94 Issue 94 Pages 174506
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We develop a theory of the upper critical field in a BCS superconductor with a nonlocal interaction between electrons. We have shown that the nonlocal interaction is characterized by the parameter k(F)rho(0), where k(F) is the Fermi momentum and rho(0) is the radius of electron-electron interaction. The presence of the external magnetic field leads to the generation of additional components of the order parameter with different angular momenta. This effect leads to the enhancement of the upper critical field above the orbital limiting field. In addition the upward curvature in the temperature dependence of H-c2 (T) in the clean limit is predicted. The impurity scattering suppresses the effect in the dirty limit.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000387884100005 Publication Date 2016-11-14
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
Impact Factor 3.836 Times cited Open Access
Notes ; ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:139166 Serial 4365
Permanent link to this record
 
 
Author Clark, L.
Title The creation and quantication of electron vortex beams, towards their application Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
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:135946 Serial 4373
Permanent link to this record
 
 
Author Hu, Z.-Y.
Title Electron microscopy of hierarchically structured nanomaterials : linking structure to properties and synthesis Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
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:138754 Serial 4377
Permanent link to this record
 
 
Author Van Aelst, J.; Philippaerts, A.; Turner, S.; Van Tendeloo, G.; Jacobs, P.; Sels, B.
Title Heterogeneous conjugation of vegetable oil with alkaline treated highly dispersed Ru/USY catalysts Type A1 Journal article
Year 2016 Publication Applied catalysis : A : general Abbreviated Journal Appl Catal A-Gen
Volume 526 Issue 526 Pages 172-182
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Heterogeneous metal catalysts enable the direct conjugation of linoleic acid tails in vegetable oil to their conjugated linoleic acid (CIA) isomers. CIA-enriched oils are useful as renewable feedstock for the chemical industry and as nutraceutical. Up to now, a solvent-free process for conjugated oils without significant formation of undesired hydrogenation products was not existing. This work shows the design of Ru/USY catalysts able to directly conjugate highly unsaturated vegetable oils such as safflower oil in absence of solvent and hydrogen. Key is fast molecular transport of the bulky reagent and reactive product triglycerides in the zeolite crystal. A two-step zeolite post-synthetic treatment (with NH4OH and acetate salt) was applied to create the necessary mesoporosity. More open zeolite structures allow for a faster conjugation reaction, while securing a fast removal of the reactive conjugated triglycerides, otherwise rapidly deactivating through fouling and pore blockage by polymers. The best Ru/USY catalyst in this contribution is capable of producing exceptionally high yields of conjugated oils, containing up to almost 30 wt% conjugated fatty acid tails in safflower oil, at an initial production rate of 328 g(CLA) mL(-1) h(-1) per gram metal catalyst. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000384865600021 Publication Date 2016-09-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0926-860x ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.339 Times cited 1 Open Access
Notes Approved Most recent IF: 4.339
Call Number UA @ lucian @ c:irua:137242 Serial 4383
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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.;
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 Al-Jamal, K.T.; Bai, J.; Wang, J.T.W.; Protti, A.; Southern, P.; Bogart, L.; Heidari, H.; Li, X.; Cakebread, A.; Asker, D.; Al-Jamal, W.T.; Shah, A.; Bals, S.; Sosabowski, J.; Pankhurst, Q.A.;
Title Magnetic drug targeting : preclinical in vivo studies, mathematical modeling, and extrapolation to humans Type A1 Journal article
Year 2016 Publication Nano letters Abbreviated Journal Nano Lett
Volume 16 Issue 16 Pages 5652-5660
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A sound theoretical rationale for the design of a magnetic nanocarrier capable of magnetic capture in vivo after intravenous administration could help elucidate the parameters necessary for in vivo magnetic tumor targeting. In this work, we utilized our long-circulating polymeric magnetic nano carriers, encapsulating increasing amounts of superparamagnetic iron oxide nanoparticles (SPIONs) in a biocompatible oil carrier, to study the effects of SPION loading and of applied magnetic field strength on magnetic tumor targeting in CT26 tumor-bearing mice. Under controlled conditions, the in vivo magnetic targeting was quantified and found to be directly proportional to SPION loading and magnetic field strength. Highest SPION loading, however, resulted in a reduced blood circulation time and a plateauing of the magnetic targeting. Mathematical modeling was undertaken to compute the in vivo magnetic, viscoelastic, convective, and diffusive forces acting on the nanocapsules (NCs) in accordance with the Nacev-Shapiro construct, and this was then used to extrapolate to the expected behavior in humans. The model predicted that in the latter case, the NCs and magnetic forces applied here would have been sufficient to achieve successful targeting in humans. Lastly, an in vivo murine tumor growth delay study was performed using docetaxel (DTX)-encapsulated NCs. Magnetic targeting was found to offer enhanced therapeutic efficacy, and improve mice survival compared to passive targeting at drug doses of ca. 5-8 mg, of DTX/kg. This is,, to our knowledge, the first study that truly bridges the gap between preclinical experiments and clinical translation in the field of magnetic drug targeting.
Address
Corporate Author Thesis
Publisher Place of Publication Washington Editor
Language Wos 000383412100050 Publication Date 2016-08-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 128 Open Access OpenAccess
Notes ; J.B. acknowledges funding from the King's-China Scholarship Council (CSC). Funding from the Biotechnology and Biological Sciences Research Council (BB/ J008656/1), Worldwide Cancer Research (12-1054), and EU FP7-ITN Marie-Curie Network programme RADDEL (290023) is acknowledged. Q.P. is grateful to A. Nacev (Weinberg Medical Physics, Rockville, MD) and to B. Shapiro (University of Maryland, College Park, MD) for their useful advice during the preparation of this manuscript. ; Approved Most recent IF: 12.712
Call Number UA @ lucian @ c:irua:137136 Serial 4391
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Author Grieten, E.
Title Modifications to the nano-texture of old photographs & daguerreotypes by degradation and atmospheric plasma treatment Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Art; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Universiteit Antwerpen, Faculteit Ontwerpwetenschappen, Opleiding Conservatie-Restauratie 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:135932 Serial 4393
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Author Juchtmans, R.
Title Novel applications of vortex beams and spiral phase plates in transmission electron microscopy Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
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:135836 Serial 4394
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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.
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 Cooper, D.; Denneulin, T.; Bernier, N.; Béché, A.; Rouvière, J.-L.
Title Strain mapping of semiconductor specimens with nm-scale resolution in a transmission electron microscope Type A1 Journal article
Year 2016 Publication Micron Abbreviated Journal Micron
Volume 80 Issue 80 Pages 145-165
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The last few years have seen a great deal of progress in the development of transmission electron microscopy based techniques for strain mapping. New techniques have appeared such as dark field electron holography and nanobeam diffraction and better known ones such as geometrical phase analysis have been improved by using aberration corrected ultra-stable modern electron microscopes. In this paper we apply dark field electron holography, the geometrical phase analysis of high angle annular dark field scanning transmission electron microscopy images, nanobeam diffraction and precession diffraction, all performed at the state-of-the-art to five different types of semiconductor samples. These include a simple calibration structure comprising 10-nm-thick SiGe layers to benchmark the techniques. A SiGe recessed source and drain device has been examined in order to test their capabilities on 2D structures. Devices that have been strained using a nitride stressor have been examined to test the sensitivity of the different techniques when applied to systems containing low values of deformation. To test the techniques on modern semiconductors, an electrically tested device grown on a SOI wafer has been examined. Finally a GaN/AlN superlattice was tested in order to assess the different methods of measuring deformation on specimens that do not have a perfect crystalline structure. The different deformation mapping techniques have been compared to one another and the strengths and weaknesses of each are discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000366770100018 Publication Date 2015-09-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0968-4328 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.98 Times cited 50 Open Access
Notes Approved Most recent IF: 1.98
Call Number UA @ lucian @ c:irua:136446 Serial 4401
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Author Sena, R.P.; Hadermann, J.; Chin, C.-M.; Hunter, E.C.; Battle, P.D.
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
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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.
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
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Author Van Havenbergh, K.; Turner, S.; Marx, N.; Van Tendeloo, G.
Title The mechanical behavior during (de)lithiation of coated silicon nanoparticles as anode material for lithium-ion batteries studied by InSitu transmission electron microscopy Type A1 Journal article
Year 2016 Publication Energy technology Abbreviated Journal Energy Technol-Ger
Volume 4 Issue 4 Pages 1005-1012
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract One approach to cope with the continuous irreversible capacity loss in Si-based electrodes, attributed to lithiation-induced volume changes and the formation of a solid-electrolyte interface (SEI), is by coating silicon nanoparticles. A coating can improve the conductivity of the electrode, form a chemical shield against the electrolyte, or provide mechanical confinement to reduce the volume increase. The influence of such a coating on the mechanical behavior of silicon nanoparticles during Li insertion and Li extraction was investigated by insitu transmission electron microscopy. The type of coating was shown to influence the size of the unreacted core that remains after reaction of silicon with lithium. Furthermore, two mechanisms to relieve the stress generated during volume expansion are reported: the initiation of cracks and the formation of nanovoids. Both result in a full reaction of the silicon nanoparticles, whereas with the formation of cracks, additional surface area is created, on which an SEI can be formed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000382549500012 Publication Date 2016-06-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2194-4296; 2194-4288 ISBN (up) Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.789 Times cited 6 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:137167 Serial 4406
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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.
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.
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.
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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