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Author Tikhomirov, V.K.; Vosch, T.; Fron, E.; Rodríguez, V.D.; Velázquez, J.J.; Kirilenko, D.; Van Tendeloo, G.; Hofkens, J.; Van der Auweraer, M.; Moshchalkov, V.V.
  Title Luminescence of oxyfluoride glasses co-doped with Ag nanoclusters and Yb3+ ions Type A1 Journal article
  Year 2012 Publication RSC advances Abbreviated Journal Rsc Adv
  Volume (up) 2 Issue 4 Pages 1496-1501
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Bulk oxyfluoride glasses co-doped with Ag nanoclusters and Yb3+ ions have been prepared by a melt quenching technique. When excited in the absorption band of the Ag nanoclusters between 300 to 500 nm, these glasses emit a broad band characteristic of the Ag nanoclusters between 400 to 750 nm as well as an emission band between 900 to 1100 nm, originating from Yb3+ ions. The intensity ratio of the Yb3+/Ag emission bands increases with the Ag doping level at a fixed concentration of Yb3+, indicating the presence of energy transfer mechanism from the Ag nanoclusters to the Yb3+ ions. Comparison of time-resolved decay kinetics of the luminescence in the respectively Ag nanocluster-Yb3+ co-doped and single Ag nanocluster doped glasses, hints towards an energy transfer from the red and infrared emitting Ag nanoclusters to the Yb3+ ions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000299695300038 Publication Date 2011-12-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.108 Times cited 46 Open Access
  Notes Fwo; Iap Approved Most recent IF: 3.108; 2012 IF: 2.562
  Call Number UA @ lucian @ c:irua:96239 Serial 1856
Permanent link to this record
 

 
Author Lakrimi, M.; Khym, S.; Symons, D.M.; Nicholas, R.J.; Peeters, F.M.; Mason, N.J.; Walker, P.J.
  Title Mini-gaps and novel giant negative magnetoresistance in InAs/GaSb semimetallic superlattice Type A1 Journal article
  Year 1998 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
  Volume (up) 2 Issue Pages 363-367
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher North-Holland Place of Publication Amsterdam Editor
  Language Wos 000075383500076 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.221 Times cited 1 Open Access
  Notes Approved Most recent IF: 2.221; 1998 IF: NA
  Call Number UA @ lucian @ c:irua:24186 Serial 2083
Permanent link to this record
 

 
Author Kuznetsov, A.S.; Lu, Y.-G.; Turner, S.; Shestakov, M.V.; Tikhomirov, V.K.; Kirilenko, D.; Verbeeck, J.; Baranov, A.N.; Moshchalkov, V.V.
  Title Preparation, structural and optical characterization of nanocrystalline ZnO doped with luminescent Ag-nanoclusters Type A1 Journal article
  Year 2012 Publication Optical materials express Abbreviated Journal Opt Mater Express
  Volume (up) 2 Issue 6 Pages 723-734
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanocrystalline ZnO doped with Ag-nanoclusters has been synthesized by a salt solid state reaction. Three overlapping broad emission bands due to the Ag nanoclusters have been detected at about 570, 750 and 900 nm. These emission bands are excited by an energy transfer from the exciton state of the ZnO host when pumped in the wavelength range from 250 to 400 nm. The 900 nm emission band shows characteristic orbital splitting into three components pointing out that the anisotropic crystalline wurtzite host of ZnO is responsible for this feature. Heat-treatment and temperature dependence studies confirm the origin of these emission bands. An energy level diagram for the emission process and a model for Ag nanoclusters sites are suggested. The emission of nanocrystalline ZnO doped with Ag nanoclusters may be applied for white light generation, displays driven by UV light, down-convertors for solar cells and luminescent lamps.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000304953700004 Publication Date 2012-04-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2159-3930; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.591 Times cited Open Access
  Notes We are grateful to the Methusalem Funding of Flemish Government for the support of this work. Y.-G. L. and S. T. acknowledge funding from the Fund for Scientific Research Flanders (FWO) for a postdoctoral grant and under grant number G056810N. The microscope used in this study was partially financed by the Hercules Foundation. J.V. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC grant No246791 – COUNTATOMS and ERC Starting Grant 278510 VORTEX. The authors acknowledge the guidance of Prof. G. Van Tendeloo, EMAT Antwerpen University, in transmission electron microscopy study in this work. ECASJO_; Approved Most recent IF: 2.591; 2012 IF: 2.616
  Call Number UA @ lucian @ c:irua:97709UA @ admin @ c:irua:97709 Serial 2707
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Author Wang, Y.J.; Nichel, H.A.; McCombe, B.D.; Peeters, F.M.; Shi, J.M.; Hai, G.Q.; Wu, X.G.; Eustis, T.J.; Schaff, W.
  Title Resonant magnetopolaron effect in GaAs/AlGaAs multiple quantum well structures Type A1 Journal article
  Year 1998 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
  Volume (up) 2 Issue Pages 161-165
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher North-Holland Place of Publication Amsterdam Editor
  Language Wos 000075383500034 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record
  Impact Factor 2.221 Times cited Open Access
  Notes Approved Most recent IF: 2.221; 1998 IF: NA
  Call Number UA @ lucian @ c:irua:24185 Serial 2888
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Author Moshnyaga, V.; Damaschke, B.; Shapoval, O.; Belenchuk, A.; Faupel, J.; Lebedev, O.I.; Verbeeck, J.; Van Tendeloo, G.; Mücksch, M.; Tsurkan, V.; Tidecks, R.; Samwer, K.
  Title Structural phase transition at the percolation threshold in epitaxial (La0.7Ca0.3MnO3)1-x:(MgO)x nanocomposite films Type A1 Journal article
  Year 2003 Publication Nature materials Abbreviated Journal Nat Mater
  Volume (up) 2 Issue 4 Pages 247-252
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract 'Colossal magnetoresistance' in perovskite manganites such as La0.7Ca0.3MnO3 (LCMO), is caused by the interplay of ferro-paramagnetic, metal-insulator and structural phase transitions. Moreover, different electronic phases can coexist on a very fine scale resulting in percolative electron transport. Here we report on (LCMO)(1-x):(MgO)(x) (0 < x less than or equal to 0.8) epitaxial nano-composite films in which the structure and magnetotransport properties of the manganite nanoclusters can be tuned by the tensile stress originating from the MgO second phase. With increasing x, the lattice of LCMO was found to expand, yielding a bulk tensile strain. The largest colossal magnetoresistance of 10(5)% was observed at the percolation threshold in the conductivity at x(c) approximate to 0.3, which is coupled to a structural phase transition from orthorhombic (0 < x less than or equal to 0.1) to rhombohedral R (3) over barc structure (0.33 less than or equal to x less than or equal to 0.8). An increase of the Curie temperature for the R (3) over barc phase was observed. These results may provide a general method for controlling the magnetotransport properties of manganite-based composite films by appropriate choice of the second phase.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000182052700022 Publication Date 2003-03-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1476-1122;1476-4660; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 39.737 Times cited 177 Open Access
  Notes Approved Most recent IF: 39.737; 2003 IF: 10.778
  Call Number UA @ lucian @ c:irua:54855 Serial 3247
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Author Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M.; Pavlyuk, B.P.; Rozova, M.G.; Antipov, E.V.
  Title Structural transformation in fluorinated LaACuGaO5 (A=Ca, Sr) brownmillerites Type A1 Journal article
  Year 2000 Publication International journal of inorganic materials Abbreviated Journal Int J Inorg Mater
  Volume (up) 2 Issue 6 Pages 493-502
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000165985400005 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1466-6049; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 13 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:36043 Serial 3265
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Author Pinheiro, C.B.; Abakumov, A.M.
  Title Superspace crystallography : a key to the chemistry and properties Type A1 Journal article
  Year 2015 Publication IUCrJ Abbreviated Journal Iucrj
  Volume (up) 2 Issue 2 Pages 137-154
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract An overview is given of the recent advances in the field of modulated molecular and inorganic crystals with an emphasis on the links between incommensurability, intermolecular and interatomic interactions and, wherever possible, the properties of the materials. The importance of detailed knowledge on the modulated structure for understanding the crystal chemistry and the functional properties of modulated phases is shown using selected examples of incommensurate modulations in organic molecular compounds and inorganic complex oxides.
  Address
  Corporate Author Thesis
  Publisher Int union crystallography Place of Publication Chester Editor
  Language Wos 000356865900016 Publication Date 2014-12-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2052-2525; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.793 Times cited 15 Open Access
  Notes Approved Most recent IF: 5.793; 2015 IF: NA
  Call Number c:irua:127058 Serial 3382
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Author Symons, D.M.; Peeters, F.M.; Lakrimi, M.; Khym, S.; Portal, J.C.; Mason, N.J.; Nicholas, R.J.; Walker, P.J.
  Title Theory of the band mixing induced negative magnetoresistance in broken gap superlattices Type A1 Journal article
  Year 1998 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
  Volume (up) 2 Issue Pages 353-357
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher North-Holland Place of Publication Amsterdam Editor
  Language Wos 000075383500074 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.221 Times cited 4 Open Access
  Notes Approved Most recent IF: 2.221; 1998 IF: NA
  Call Number UA @ lucian @ c:irua:24183 Serial 3620
Permanent link to this record
 

 
Author Leusink, D.P.; Coneri, F.; Hoek, M.; Turner, S.; Idrissi, H.; Van Tendeloo, G.; Hilgenkamp, H.
  Title Thin films of the spin ice compound Ho2Ti2O7 Type A1 Journal article
  Year 2014 Publication APL materials Abbreviated Journal Apl Mater
  Volume (up) 2 Issue 3 Pages 032101-32107
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The pyrochlore compounds Ho2Ti2O7 and Dy2Ti2O7 show an exotic form of magnetism called the spin ice state, resulting from the interplay between geometrical frustration and ferromagnetic coupling. A fascinating feature of this state is the appearance of magnetic monopoles as emergent excitations above the degenerate ground state. Over the past years, strong effort has been devoted to the investigation of these monopoles and other properties of the spin ice state in bulk crystals. Here, we report the fabrication of Ho2Ti2O7 thin films using pulsed laser deposition on yttria-stabilized ZrO2 substrates. We investigated the structural properties of these films by X-ray diffraction, scanning transmission electron microscopy, and atomic force microscopy, and the magnetic properties by vibrating sample magnetometry at 2 K. The films not only show a high crystalline quality, but also exhibit the hallmarks of a spin ice: a pronounced magnetic anisotropy and an intermediate plateau in the magnetization along the [111] crystal direction.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000334220300002 Publication Date 2014-03-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2166-532X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.335 Times cited 18 Open Access
  Notes The authors acknowledge support from the Dutch FOM and NWO foundations and from the European Union under the Framework 7 program under a contract from an Integrated Infrastructure Initiative (Reference 312483 ESTEEM2). G.V.T. acknowledges the ERC Grant N246791- COUNTATOMS. S.T. gratefully acknowledges financial support from the Fund for Scientific Research Flanders (FWO). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21. The microscope used in this study was partially financed by the Hercules Foundation of the Flemish Government. The authors acknowledge fruitful interactions with A. Brinkman, M. G. Blamire, M. Egilmez, F. J. G. Roesthuis, J. N. Beukers, C. G. Molenaar, M. Veldhorst, and X. Renshaw Wang; esteem2_ta Approved Most recent IF: 4.335; 2014 IF: NA
  Call Number UA @ lucian @ c:irua:115555 Serial 3641
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Author Hamon, C.; Novikov, S.M.; Scarabelli, L.; Solís, D.M.; Altantzis, T.; Bals, S.; Taboada, J.M.; Obelleiro, F.; Liz-Marzán, L.M.
  Title Collective Plasmonic Properties in Few-Layer Gold Nanorod Supercrystals Type A1 Journal article
  Year 2015 Publication ACS Photonics Abbreviated Journal Acs Photonics
  Volume (up) 2 Issue 2 Pages 1482-1488
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Gold nanorod supercrystals have been widely employed for the detection of relevant bioanalytes with detection limits ranging from nano- to picomolar levels,

confirming the promising nature of these structures for biosensing. Even though a relationship between the height of the supercrystal (i.e., the number of stacked nanorod layers)and the enhancement factor has been proposed, no systematic

study has been reported. In order to tackle this problem, we prepared gold nanorod supercrystals with varying numbers of stacked layers and analyzed them extensively by atomic force microscopy, electron microscopy and surface enhanced Raman scattering. The experimental results were compared to numerical

simulations performed on real-size supercrystals composed of thousands of nanorod building blocks. Analysis of the hot spot distribution in the simulated supercrystals showed the presence of standing waves that were distributed at different depths, depending on the number of layers in each supercrystal. On the basis of these theoretical results, we interpreted the experimental

data in terms of analyte penetration into the topmost layer only, which indicates that diffusion to the interior of the supercrystals would be crucial if the complete field enhancement produced by the stacked nanorods is to be exploited. We propose that our conclusions will be of high relevance in the design of next generation plasmonic devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000363435600013 Publication Date 2015-09-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.756 Times cited 70 Open Access OpenAccess
  Notes The authors are thankful to Dr. Luis Yate for assistance with sample preparation. This work was supported by the European Research Council (ERC Advanced Grant #267867 Plasmaquo and ERC Starting Grant #335078 Colouratom) and the Spanish Ministerio de Economía y Competitividad (MAT2013-46101-R). D.M.S., J.M.T., and F.O. acknowledge funding from the European Regional Development Fund (ERDF) and the Spanish Ministerio de Economiá y Competitividad (MAT2014-58201-C2-1-R, MAT2014-58201- C2-2-R, Project TACTICA), from the ERDF and the Galician Regional Government under Projects CN2012/279 and CN2012/260 (AtlantTIC) and the Plan I2C (2011−2015), and from the ERDF and the Extremadura Regional Government (Junta de Extremadura Project IB13185).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 6.756; 2015 IF: NA
  Call Number c:irua:129458 Serial 3978
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Author Ozaydin, H.D.; Sahin, H.; Kang, J.; Peeters, F.M.; Senger, R.T.
  Title Electronic and magnetic properties of 1T-TiSe2 nanoribbons Type A1 Journal article
  Year 2015 Publication 2D materials Abbreviated Journal 2D Mater
  Volume (up) 2 Issue 2 Pages 044002
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Motivated by the recent synthesis of single layer TiSe2, we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchair-edged nanoribbons (NRs) of this material. Our analysis reveals that, differing from ribbons of other ultra-thin materials such as graphene, TiSe2 NRs have some distinctive properties. The electronic band gap of the NRs decreases exponentially with the width and vanishes for ribbons wider than 20 angstrom. For ultranarrow zigzag-edged NRs we find odd-even oscillations in the band gap width, although their band structures show similar features. Moreover, our detailed magnetic-ground-state analysis reveals that zigzag and armchair edged ribbons have non-magnetic ground states. Passivating the dangling bonds with hydrogen at the edges of the structures influences the band dispersion. Our results shed light on the characteristic properties of T phase NRs of similar crystal structures.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000368936600005 Publication Date 2015-10-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 20 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 ULAK-BIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS is supported by a FWO Pegasus Long Marie Curie Fellowship. JK is supported by a FWO Pegasus Short Marie Curie Fellowship. HDO, HS and RTS acknowledge the support from TUBITAK through project 114F397. ; Approved Most recent IF: 6.937; 2015 IF: NA
  Call Number UA @ lucian @ c:irua:131602 Serial 4169
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Author Venturi, F.; Calizzi, M.; Bals, S.; Perkisas, T.; Pasquini, L.
  Title Self-assembly of gas-phase synthesized magnesium nanoparticles on room temperature substrates Type A1 Journal article
  Year 2015 Publication Materials research express Abbreviated Journal Mater Res Express
  Volume (up) 2 Issue 2 Pages 015007
  Keywords A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
  Abstract Magnesium nanoparticles (NPs) with initial size in the 10-50 nmrange were synthesized by inert gas condensation under helium flow and deposited on room temperature substrates. The morphology and crystal structure of the NPs ensemble were investigated as a function of the deposition time by complementary electron microscopy techniques, including high resolution imaging and chemical mapping. With increasing amount of material, strong coarsening phenomena were observed at room temperature: small NPs disappeared while large faceted NPs developed, leading to a 5-fold increase of the average NPs size within a few minutes. The extent of coarsening and the final morphology depended also on the nature of the substrate. Furthermore, large single-crystal NPs were seen to arise from the self-organization of primary NPs units, providing a mechanism for crystal growth. The dynamics of the self-assembly process involves the basic steps of NPs sticking, diffusion on substrate, coordinated rotation and attachment/coalescence. Key features are the surface energy anisotropy, reflected by the faceted shape of the NPs, and the low melting point of the material. The observed phenomena have strong implications in relation to the synthesis and stability of nanostructures based on Mg or other elements with similar features.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000369978500007 Publication Date 2014-12-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1591 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.068 Times cited 14 Open Access Not_Open_Access
  Notes ; Financial support by COST Action MP1103 'Nanostructured Materials for Solid-State Hydrogen Storage' is gratefully acknowledged. ; Approved Most recent IF: 1.068; 2015 IF: NA
  Call Number UA @ lucian @ c:irua:132275 Serial 4240
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Author Zhang, B.; Deschamps, M.; Ammar, M.-R.; Raymundo-Pinero, E.; Hennet, L.; Batuk, D.; Tarascon, J.-M.
  Title Laser synthesis of hard carbon for anodes in Na-ion battery Type A1 Journal article
  Year 2017 Publication Advanced Materials Technologies Abbreviated Journal
  Volume (up) 2 Issue 3 Pages 1600227
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000398999900003 Publication Date 2016-12-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2365-709x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 10 Open Access Not_Open_Access
  Notes ; The RS2E (Reseau sur le StockageElectrochimique de l'Energie) network is acknowledged for the financial support of this work through the ANR project Storex (ANR-10-LABX-76-01). J.-M.T acknowledges funding from the European Research Council (ERC) (FP/2014-2020)/ERC GrantProject 670116-ARPEMA. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:142452 Serial 4666
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Author De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B.
  Title Resistivity scaling model for metals with conduction band anisotropy Type A1 Journal article
  Year 2018 Publication Physical review materials Abbreviated Journal
  Volume (up) 2 Issue 3 Pages 033801
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication College Park, Md Editor
  Language Wos 000426787600001 Publication Date 2018-03-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes ; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866 Serial 4947
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Author Perez, A.J.; Jacquet, Q.; Batuk, D.; Iadecola, A.; Saubanere, M.; Rousse, G.; Larcher, D.; Vezin, H.; Doublet, M.-L.; Tarascon, J.-M.
  Title Approaching the limits of cationic and anionic electrochemical activity with the Li-rich layered rocksalt Li3IrO4 Type A1 Journal article
  Year 2017 Publication Nature energy Abbreviated Journal Nat Energy
  Volume (up) 2 Issue 12 Pages 954-962
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The Li-rich rocksalt oxides Li2MO3 (M = 3d/4d/5d transition metal) are promising positive-electrode materials for Li-ion batteries, displaying capacities exceeding 300 mAh g(-1) thanks to the participation of the oxygen non-bonding O(2p) orbitals in the redox process. Understanding the oxygen redox limitations and the role of the O/M ratio is therefore crucial for the rational design of materials with improved electrochemical performances. Here we push oxygen redox to its limits with the discovery of a Li3IrO4 compound (O/M = 4) that can reversibly take up and release 3.5 electrons per Ir and possesses the highest capacity ever reported for any positive insertion electrode. By quantitatively monitoring the oxidation process, we demonstrate the material's instability against O-2 release on removal of all Li. Our results show that the O/M parameter delineates the boundary between the material's maximum capacity and its stability, hence providing valuable insights for further development of high-capacity materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000430218300001 Publication Date 2017-12-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2058-7546 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 55 Open Access Not_Open_Access
  Notes ; We thank P. Pearce for providing the beta-Li<INF>2</INF>IrO<INF>3</INF> and L. Lemarquis for helping in the DEMS experiment. We are particularly grateful to S. Belin, V. Briois and L. Stievano for helpful discussions on XAS analysis and synchrotron SOLEIL (France) for providing beamtime at the ROCK beamline (financed by the French National Research Agency (ANR) as part of the 'Investissements d'Avenir' programme, reference: ANR-10-EQPX-45). A.J.P and A. I. acknowledge the GdR C(RS) 2 for the workshop organized on a chemometric approach for XAS data analysis. V. Nassif is acknowledged for her help during neutron diffraction experiments performed at Institut Laue Langevin on D1B. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the US Department of Energy under contract No. DE-AC02-06CH11357 and is gratefully acknowledged. This work has been performed with the support of the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116 ARPEMA. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:150926 Serial 4962
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Author Andelkovic, M.; Covaci, L.; Peeters, F.M.
  Title DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder Type A1 Journal article
  Year 2018 Publication Physical review materials Abbreviated Journal
  Volume (up) 2 Issue 3 Pages 034004
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication College Park, Md Editor
  Language Wos 000427822700002 Publication Date 2018-03-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 27 Open Access
  Notes ; We acknowledge financial support from the graphene FLAG-ERA project TRANS2DTMD. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:150838UA @ admin @ c:irua:150838 Serial 4964
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Author Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M.
  Title Electron pairing: from metastable electron pair to bipolaron Type A1 Journal article
  Year 2018 Publication Journal of physics communications Abbreviated Journal
  Volume (up) 2 Issue 3 Pages Unsp 035017
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band.
  Address
  Corporate Author Thesis
  Publisher IOP Publishing Place of Publication Bristol Editor
  Language Wos 000434996900022 Publication Date 2018-02-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2399-6528 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 9 Open Access
  Notes ; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 Serial 5022
Permanent link to this record
 

 
Author Kalashami, H.G.; Neek-Amal, M.; Peeters, F.M.
  Title Slippage dynamics of confined water in graphene oxide capillaries Type A1 Journal article
  Year 2018 Publication Physical review materials Abbreviated Journal
  Volume (up) 2 Issue 7 Pages 074004
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The permeation of water between neighboring graphene oxide (GO) flakes, i.e., 2D nanochannels, are investigated using a simple model for the GO membrane. We simulate the hydrophilic behavior of nanocapillaries and study the effect of surface charge on the dynamical properties of water flow and the influence of Na+ and Cl- ions on water permeation. Our approach is based on extensive equilibrium molecular dynamics simulations to obtain a better understanding of water permeation through charged nanochannels in the presence of ions. We found significant change in the slippage dynamics of confined water such as a profound increase in viscosity/slip length with increasing charges over the surface. The slip length decreases one order of magnitude (i.e., 1/30) with increasing density of surface charge, while it increases by a factor of 2 with ion concentration. We found that commensurability induced by nanoconfinement plays an important role on the intrinsic dynamical properties of water.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication College Park, Md Editor
  Language Wos 000439435200006 Publication Date 2018-07-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 1 Open Access
  Notes ; We acknowledge fruitful discussions with Andre K. Geim, Irina Grigorieva, and Rahul R. Nair. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:152409UA @ admin @ c:irua:152409 Serial 5128
Permanent link to this record
 

 
Author Crippa, F.; Rodriguez-Lorenzo, L.; Hua, X.; Goris, B.; Bals, S.; Garitaonandia, J.S.; Balog, S.; Burnand, D.; Hirt, A.M.; Haeni, L.; Lattuada, M.; Rothen-Rutishauser, B.; Petri-Fink, A.
  Title Phase transformation of superparamagnetic iron oxide nanoparticles via thermal annealing : implications for hyperthermia applications Type A1 Journal article
  Year 2019 Publication ACS applied nano materials Abbreviated Journal
  Volume (up) 2 Issue 2 Pages 4462-4470
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Magnetic hyperthermia has the potential to play an important role in cancer therapy and its efficacy relies on the nanomaterials selected. Superparamagnetic iron oxide nanoparticles (SPIONs) are excellent candidates due to the ability of producing enough heat to kill tumor cells by thermal ablation. However, their heating properties depend strongly on crystalline structure and size, which may not be controlled and tuned during the synthetic process; therefore, a postprocessing is needed. We show how thermal annealing can be simultaneously coupled with ligand exchange to stabilize the SPIONs in polar solvents and to modify their crystal structure, which improves hyperthermia behavior. Using high-resolution transmission electron microscopy, X-ray diffraction, Mossbauer spectroscopy, vibrating sample magnetometry, and lock-in thermography, we systematically investigate the impact of size and ligand exchange procedure on crystallinity, their magnetism, and heating ability. We describe a valid and simple approach to optimize SPIONs for hyperthermia by carefully controlling the size, colloidal stability, and crystallinity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000477917700048 Publication Date 2019-06-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 18 Open Access Not_Open_Access
  Notes ; This work was supported by the Swiss National Science Foundation through the National Center of Competence in Research Bio-Inspired Materials, the Adolphe Merkle Foundation, the University of Fribourg, and the European Society for Molecular Imaging (Grant E141200643). ; Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:161927 Serial 5393
Permanent link to this record
 

 
Author Legrand, S.; Vanmeert, F.; van der Snickt, G.; Alfeld, M.; de Nolf, W.; Dik, J.; Janssens, K.
  Title Examination of historical paintings by state-of-the-art hyperspectral imaging methods : from scanning infra-red spectroscopy to computed X-ray laminography Type A1 Journal article
  Year 2014 Publication Heritage science Abbreviated Journal
  Volume (up) 2 Issue Pages 13-11
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The development of advanced methods for non-destructive selective imaging of painted works of art at the macroscopic level based on radiation in the X-ray and infrared range of the electromagnetic spectrum are concisely reviewed. Such methods allow to either record depth-selective, element-selective or species-selective images of entire paintings. Camera-based full field methods (that record the image data in parallel) can be discerned next to scanning methods (that build up distributions in a sequential manner by scanning a beam of radiation over the surface of an artefact). Six methods are discussed: on the one hand, macroscopic X-ray fluorescence and X-ray diffraction imaging and X-ray laminography and on the other hand macroscopic Mid and Near Infrared hyper- and full spectral imaging and Optical Coherence Tomography. These methods can be considered to be improved versions of the well-established imaging methods employed worldwide for examination of paintings, i.e., X-ray radiography and Infrared reflectography. Possibilities and limitations of these new imaging techniques are outlined.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2014-05-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7445 ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:124629 Serial 5619
Permanent link to this record
 

 
Author Groenendijk, D.J.; Autieri, C.; van Thiel, T.C.; Brzezicki, W.; Hortensius, J.R.; Afanasiev, D.; Gauquelin, N.; Barone, P.; van den Bos, K.H.W.; van Aert, S.; Verbeeck, J.; Filippetti, A.; Picozzi, S.; Cuoco, M.; Caviglia, A.D.
  Title Berry phase engineering at oxide interfaces Type A1 Journal article
  Year 2020 Publication Abbreviated Journal Phys. Rev. Research
  Volume (up) 2 Issue 2 Pages 023404
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Three-dimensional strontium ruthenate (SrRuO3) is an itinerant ferromagnet that features Weyl points acting as sources of emergent magnetic fields, anomalous Hall conductivity, and unconventional spin dynamics. Integrating SrRuO3 in oxide heterostructures is potentially a novel route to engineer emergent electrodynamics, but its electronic band topology in the two-dimensional limit remains unknown. Here we show that ultrathin SrRuO3 exhibits spin-polarized topologically nontrivial bands at the Fermi energy. Their band anticrossings show an enhanced Berry curvature and act as competing sources of emergent magnetic fields. We control their balance by designing heterostructures with symmetric (SrTiO3/SrRuO3/SrTiO3 and SrIrO3/SrRuO3/SrIrO3) and asymmetric interfaces (SrTiO3/SrRuO3/SrIrO3). Symmetric structures exhibit an interface-tunable single-channel anomalous Hall effect, while ultrathin SrRuO3 embedded in asymmetric structures shows humplike features consistent with multiple Hall contributions. The band topology of two-dimensional SrRuO3 proposed here naturally accounts for these observations and harmonizes a large body of experimental results.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000603642700008 Publication Date 2020-06-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2643-1564 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 58 Open Access OpenAccess
  Notes Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Fonds Wetenschappelijk Onderzoek; European Research Council; Horizon 2020, 677458 770887 731473 ; Fondazione Cariplo, 2013-0726 ; Narodowe Centrum Nauki, 2016/23/B/ST3/00839 ; Fundacja na rzecz Nauki Polskiej; Universiteit Antwerpen; Vlaamse regering; Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:172462 Serial 6401
Permanent link to this record
 

 
Author Sánchez-Iglesias, A.; Zhuo, X.; Albrecht, W.; Bals, S.; Liz-Marzán, L.M.
  Title Tuning Size and Seed Position in Small Silver Nanorods Type A1 Journal article
  Year 2020 Publication ACS materials letters Abbreviated Journal ACS Materials Lett.
  Volume (up) 2 Issue 9 Pages 1246-1250
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000571390700022 Publication Date 2020-09-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2639-4979 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 9 Open Access OpenAccess
  Notes Financial support is acknowledged from the European Commission under the Horizon 2020 Programme, by means of Grant Agreement No. 731019 (EUSMI), the ERC Consolidator Grant (No. 815128) (REALNANO), and the ERC Advanced Grant (No. 787510) (4DbioSERS). W.A. acknowledges an Individual Fellowship from the Marie Sklodowska-Curie actions (MSCA), under the EU’s Horizon 2020 program (Grant 797153, SOPMEN). This work was performed under the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency (Grant No. MDM-2017-0720).; sygma Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:171980 Serial 6439
Permanent link to this record
 

 
Author Benito Llorens, J.; Embon, L.; Correa, A.; Gonzalez, J.D.; Herrera, E.; Guillamon, I.; Luccas, R.F.; Azpeitia, J.; Mompean, F.J.; Garcia-Hernandez, M.; Munuera, C.; Aragon Sanchez, J.; Fasano, Y.; Milošević, M.V.; Suderow, H.; Anahory, Y.
  Title Observation of a gel of quantum vortices in a superconductor at very low magnetic fields Type A1 Journal article
  Year 2020 Publication Physical review research Abbreviated Journal
  Volume (up) 2 Issue 1 Pages 013329
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A gel consists of a network of particles or molecules formed for example using the sol-gel process, by which a solution transforms into a porous solid. Particles or molecules in a gel are mainly organized on a scaffold that makes up a porous system. Quantized vortices in type-II superconductors mostly form spatially homogeneous ordered or amorphous solids. Here we present high-resolution imaging of the vortex lattice displaying dense vortex clusters separated by sparse or entirely vortex-free regions in beta-Bi2Pd superconductor. We find that the intervortex distance diverges upon decreasing the magnetic field and that vortex lattice images follow a multifractal behavior. These properties, characteristic of gels, establish the presence of a novel vortex distribution, distinctly different from the well-studied disordered and glassy phases observed in high-temperature and conventional superconductors. The observed behavior is caused by a scaffold of one-dimensional structural defects with enhanced stress close to the defects. The vortex gel might often occur in type-II superconductors at low magnetic fields. Such vortex distributions should allow to considerably simplify control over vortex positions and manipulation of quantum vortex states.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000602698100008 Publication Date 2020-03-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 14 Open Access
  Notes ; We acknowledge support, discussions and critical reading of the manuscript from Eli Zeldov, who also devised and setup the SOT system. We also acknowledge critical reading and suggestions of Vladimir Kogan and Alexander Buzdin. Work performed in Spain was supported by the MINECO (FIS2017-84330-R, MAT2017-87134-C2-2-R, RYC-2014-16626 and RYC-2014-15093) and by the Region of Madrid through programs NANOFRONTMAG-CM (S2013/MIT-2850) and MAD2D-CM (S2013/ MIT-3007). The SEGAINVEX at UAM is also acknowledged as well as PEOPLE, Graphene Flagship, NMP programs of EU (Grant Agreements FP7-PEOPLE-2013-CIG 618321, 604391 and AMPHIBIAN H2020-NMBP-03-2016 NMP3-SL 2012-310516). Work in Israel was supported by the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (Grant No. 802952). Y.F. acknowledges the support of grant PICT 2017-2182 from the ANPCyT. R.F.L. acknowledges the support of grant PICT 2017-2898 from the ANPCyT. E.H. acknowledges support of Departamento Administrativo de Ciencia, Tecnologia e Innovacion, COLCIENCIAS (Colombia) Programa de estancias Postdoctorales convocatoria 784-2017 and the Cluster de investigacin en ciencias y tecnologas convergentes de la Universidad Central (Colombia). I.G. was supported by the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (Grant No. 679080). M.V.M. acknowledges support from Research FoundationFlanders (FWO). The international collaboration on this work was fostered by the EU-COST Action CA16218 Nanoscale Coherent Hybrid Devices for Superconducting Quantum Technologies (NANOCOHYBRI). J.D.G. and M.V.M. gratefully acknowledge support from the Research Fund (FONCIENCIAS) of Universidad del Magdalena. ; Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:175138 Serial 6694
Permanent link to this record
 

 
Author Faust, V.; Gruber, W.; Ganigue, R.; Vlaeminck, S.E.; Udert, K.M.
  Title Nitrous oxide emissions and carbon footprint of decentralized urine fertilizer production by nitrification and distillation Type A1 Journal article
  Year 2022 Publication ACS ES&T engineering Abbreviated Journal
  Volume (up) 2 Issue 9 Pages 1745-1755
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Combining partial nitrification, granular activated carbon (GAC) filtration, and distillation is a well-studied approach to convert urine into a fertilizer. To evaluate the environmental sustainability of a technology, the operational carbon footprint and therefore nitrous oxide (N2O) emissions should be known, but N2O emissions from urine nitrification have not been assessed yet. Therefore, N2O emissions of a decentralized urine nitrification reactor were monitored for 1 month. During nitrification, 0.4-1.2% of the total nitrogen load was emitted as N2O-N with an average N2O emission factor (EFN2O) of 0.7%. Additional N2O was produced during anoxic storage between nitrification and GAC filtration with an estimated EFN2O of 0.8%, resulting in an EFN2O of 1.5% for the treatment chain. N2O emissions during nitrification can be mitigated by 60% by avoiding low dissolved oxygen or anoxic conditions and nitrite concentrations above 5 mg-N L-1. Minimizing the hydraulic retention time between nitrification and GAC filtration can reduce N2O formation during intermediate storage by 100%. Overall, the N2O emissions accounted for 45% of the operational carbon footprint of 14 kg-CO2,equiv kg-N-1 for urine fertilizer production. Using electricity from renewable sources and applying the proposed N2O mitigation strategies could potentially lower the carbon footprint by 85%.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000835412700001 Publication Date 2022-07-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access OpenAccess
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:189599 Serial 7182
Permanent link to this record
 

 
Author Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Cakir, D.
  Title Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules Type A1 Journal article
  Year 2019 Publication ACS applied energy materials Abbreviated Journal
  Volume (up) 2 Issue 2 Pages 1251-1258
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, namely 1,4-benzoquinone (C6H4O2) and tetrafluoro-1,4-benzoquinone (C6F4O2) were selected as the molecular linkers to demonstrate the feasibility of this interlayer engineering strategy for energy storage. As compared to Ti3C2O2 bilayer without linker molecules, our pillared structures facilitate a much faster ion transport, promising a higher charge/discharge rate for Li. For example, while the diffusion barrier of a single Li ion within pristine Ti3C2O2 bilayer is at least 1.0 eV, it becomes 0.3 eV in pillared structures, which is comparable and even lower than that of commercial materials. At high Li concentrations, the calculated diffusion barriers are as low as 0.4 eV. Out-of-plane migration of Li ions is hindered due to large barrier energy with a value of around 1-1.35 eV. Concerning storage capacity, we can only intercalate one monolayer of Li within pristine Ti3C2O2 bilayer. In contrast, pillared structures offer significantly higher storage capacity. Our calculations showed that at least two layers of Li can be intercalated between Ti3C2O2 layers without forming bulk Li and losing the pillared structure upon Li loading/unloading. A small change in the in-plane lattice parameters (<0.5%) and volume (<1.0%) and ab initio molecular dynamics simulations prove the stability of the pillared structures against Li intercalation and thermal effects. Intercalated molecules avoid the large contraction/expansion of the whole structure, which is one of the key problems in electrochemical energy storage. Pillared structures allow us to realize electrodes with high capacity and fast kinetics. Our results open new research paths for improving the performance of not only MXenes but also other layered materials for supercapacitor and battery applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000459948900037 Publication Date 2019-01-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:193759 Serial 7414
Permanent link to this record
 

 
Author Khazaei, M.; Wang, V.; Sevik, C.; Ranjbar, A.; Arai, M.; Yunoki, S.
  Title Electronic structures of iMAX phases and their two-dimensional derivatives: A family of piezoelectric materials Type A1 Journal article
  Year 2018 Publication Physical review materials Abbreviated Journal
  Volume (up) 2 Issue 7 Pages 074002
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Recently, a group of MAX phases, (Mo2/3Y1/3)(2)AlC, (Mo2/3Sc1/3)(2)AlC, (W2/3Sc1/3)(2)AlC,(W2/3Y1/3)(2)AlC, and (V-2/3 Zr-1/3)(2)AlC, with in-plane ordered double transition metals, named iMAX phases, have been synthesized. Experimentally, some of these MAX phases can be chemically exfoliated into two-dimensional (2D) single- or multilayered transition metal carbides, so-called MXenes. Accordingly, the 2D nanostructures derived from iMAX phases are named iMXenes. Here we investigate the structural stabilities and electronic structures of the experimentally discovered iMAX phases and their possible iMXene derivatives. We show that the iMAX phases and their pristine, F, or OH-terminated iMXenes are metallic. However, upon 0 termination, (Mo2/3Y1/3)(2)C, (Mo2/3Sc1/3)(2)C, (W2/3Y1/3)(2)C, and (W2/3Sc1/3)(2)C iMXenes turn into semiconductors. Owing to the absence of centrosymmetry, the semiconducting iMXenes may find applications in piezoelectricity. Our calculations reveal that the semiconducting iMXenes possess giant piezoelectric coefficients as large as 45 x 10(-)(10) C/m.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000438354500001 Publication Date 2018-07-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:193791 Serial 7876
Permanent link to this record
 

 
Author Gatto Rotondo, G.; Darchuk, L.; Swaenen, M.; Van Grieken, R.
  Title Micro-Raman and SEM analysis of minerals from the Darhib mine, Egypt Type A1 Journal article
  Year 2012 Publication Journal of analytical sciences, methods and instrumentation Abbreviated Journal
  Volume (up) 2 Issue 1 Pages 42-47
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract The Darhib mine is one of the several talc deposits in the Hamata area of southeastern Egypt. Several specimens of minerals coming from this mine were subjected to complementary investigation by micro-Raman spectrometry and scanning electron microscopy. The difficulty in their identification is the appearance of most of them: they are all very small and only visible under the mineral binocular microscope(×10 – ×40). They appear as small crystals in fissures and holes and a visual determination on colour and crystal gives only a guess of what kind of mineral it could be. Therefore, only after analyzing them by micro-Raman and scanning electron microscopy it was possible to identify their structure and they can be divided in three main groups: one is quite generic and several minerals of different species were identified, such as quartz, talc, mottramite and chrysocolla, very common in the talc mine (these ones are Si-based minerals); the other one is constituted by four samples which are Zn and/or Cu rich, which means minerals of the rosasite or aurichalcite groups; the last group is constituted by two samples containing mainly Pb..
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2012-03-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2164-2745; 2164-2753 ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:102567 Serial 8232
Permanent link to this record
 

 
Author Privat-Maldonado, A.; Gorbanev, Y.; O'Connell, D.; Vann, R.; Chechik, V.; van der Woude, M.W.
  Title Nontarget biomolecules alter macromolecular changes induced by bactericidal low-temperature plasma Type A1 Journal article
  Year 2018 Publication IEEE transactions on radiation and plasma medical sciences Abbreviated Journal
  Volume (up) 2 Issue 2 Pages 121-128
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Low-temperature plasmas (LTPs) have a proven bactericidal activity governed by the generated reactive oxygen and nitrogen species (RONS) that target microbial cell components. However, RONS also interact with biomolecules in the environment. Here we assess the impact of these interactions upon exposure of liquid suspensions with variable organic content to an atmospheric-pressure dielectric barrier discharge plasma jet. Salmonella enterica serovar Typhimurium viability in the suspension was reduced in the absence [e. g., phosphate buffered saline (PBS)], but not in the presence of (high) organic content [Dulbecco's Modified Eagle's Medium (DMEM), DMEM supplemented with foetal calf serum, and Lysogeny Broth]. The reduced viability of LTP-treated bacteria in PBS correlated to a loss of membrane integrity, whereas double-strand DNA breaks could not be detected in treated single cells. The lack of bactericidal activity in solutions with high organic content correlated with a relative decrease of center dot OH and O-3/O-2(a(1)Delta g)/O, and an increase of H2O2 and NO2- in the plasma-treated solutions. These results indicate that the redox reactions of LTP-generated RONS with nontarget biomolecules resulted in a RONS composition with reduced bactericidal activity. Therefore, the chemical composition of the bacterial environment should be considered in the development of LTP for antimicrobial treatment, and may affect other biomedical applications as well.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000456148700007 Publication Date 2017-10-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-7311; 2469-7303 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:156820 Serial 8316
Permanent link to this record
 

 
Author Tavkhelidze, I.; Caratelli, D.; Gielis, J.; Ricci, P.E.; Rogava, M.; Transirico, M.
  Title On a geometric model of bodies with “complex” configuration and some movements Type H1 Book chapter
  Year 2017 Publication Abbreviated Journal
  Volume (up) 2 Issue Pages 129-158 T2 - Modeling in mathematics : proceedings
  Keywords H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Aim of this chapter is analytical representation of one wide class of geometric figures (lines, surfaces and bodies) and their complicated displacements. The accurate estimation of physical characteristics (such as volume, surface area, length, or other specific parameters) relevant to human organs is of fundamental importance in medicine. One central idea of this article is, in this respect, to provide a general methodology for the evaluation, as a function of time, of the volume and center of gravity featured by moving of one class of bodies used of describe different human organs.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000442076400010 Publication Date 2017-04-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN 978-94-6239-260-1; 978-94-6239-261-8; 2543-0300; 978-94-6239-260-1 Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:144552 Serial 8326
Permanent link to this record
 

 
Author Dubrovinskaia, N.; Dubrovinsky, L.; Solopova, N.A.; Abakumov, A.; Turner, S.; Hanfland, M.; Bykova, E.; Bykov, M.; Prescher, C.; Prakapenka, V.B.; Petitgirard, S.; Chuvashova, I.; Gasharova, B.; Mathis, Y.-L.; Ershov, P.; Snigireva, I.; Snigirev, A.
  Title Terapascal static pressure generation with ultrahigh yield strength nanodiamond Type A1 Journal article
  Year 2016 Publication Science Advances Abbreviated Journal
  Volume (up) 2 Issue 7 Pages e1600341-12
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Studies of materials' properties at high and ultrahigh pressures lead to discoveries of unique physical and chemical phenomena and a deeper understanding of matter. In high-pressure research, an achievable static pressure limit is imposed by the strength of available strong materials and design of high-pressure devices. Using a high-pressure and high-temperature technique, we synthesized optically transparent microballs of bulk nanocrystalline diamond, which were found to have an exceptional yield strength (similar to 460 GPa at a confining pressure of similar to 70 GPa) due to the unique microstructure of bulk nanocrystalline diamond. We used the nanodiamond balls in a double-stage diamond anvil cell high-pressure device that allowed us to generate static pressures beyond 1 TPa, as demonstrated by synchrotron x-ray diffraction. Outstanding mechanical properties (strain-dependent elasticity, very high hardness, and unprecedented yield strength) make the nanodiamond balls a unique device for ultrahigh static pressure generation. Structurally isotropic, homogeneous, and made of a low-Z material, they are promising in the field of x-ray optical applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000381805300029 Publication Date 2016-07-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:190527 Serial 8647
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