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Author Barnabé, A.; Millange, F.; Maignan, A.; Hervieu, M.; Raveau, B.; Van Tendeloo, G.; Laffez, P.
Title Barium-based manganites Ln1-xBaxMnO3 with Ln = {Pr, La}: phase transitions and magnetoresistance properties Type A1 Journal article
Year 1998 Publication Chem. mater. Abbreviated Journal Chem Mater
Volume 10 Issue Pages 252-259
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000071624400037 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 48 Open Access
Notes Approved Most recent IF: 9.466; 1998 IF: 3.359
Call Number UA @ lucian @ c:irua:25689 Serial 220
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Author Colomer, J.-F.; Henrard, L.; Launois, P.; Van Tendeloo, G.; Lucas, A.A.; Lambin, P.
Title Bundles of identical double-walled carbon nanotubes Type A1 Journal article
Year 2004 Publication Chemical communications Abbreviated Journal Chem Commun
Volume Issue 22 Pages 2592-2593
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000225375100035 Publication Date 2004-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited 13 Open Access
Notes Approved Most recent IF: 6.319; 2004 IF: 3.997
Call Number UA @ lucian @ c:irua:54875 Serial 263
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Author Neyts, E.C.; Bogaerts, A.
Title Combining molecular dynamics with Monte Carlo simulations : implementations and applications Type A1 Journal article
Year 2013 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 132 Issue 2 Pages 1320-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this contribution, we present an overview of the various techniques for combining atomistic molecular dynamics with Monte Carlo simulations, mainly in the context of condensed matter systems, as well as a brief summary of the main accelerated dynamics techniques. Special attention is given to the force bias Monte Carlo technique and its combination with molecular dynamics, in view of promising recent developments, including a definable timescale. Various examples of the application of combined molecular dynamics / Monte Carlo simulations are given, in order to demonstrate the enhanced simulation efficiency with respect to either pure molecular dynamics or Monte Carlo.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000318294700010 Publication Date 2012-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.89 Times cited 27 Open Access
Notes Approved Most recent IF: 1.89; 2013 IF: 2.143
Call Number UA @ lucian @ c:irua:104725 Serial 404
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Author Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C.
Title Conformational analysis of TMC114, a novel HIV-1 protease inhibitor Type A1 Journal article
Year 2008 Publication Journal of Chemical Information and Modeling Abbreviated Journal J Chem Inf Model
Volume 48 Issue 1 Pages 99-108
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000252713700009 Publication Date 2008-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1549-9596;1549-960X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.76 Times cited 13 Open Access
Notes Approved Most recent IF: 3.76; 2008 IF: 3.643
Call Number UA @ lucian @ c:irua:67463 Serial 491
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Author Morozov, V.A.; Raskina, M.V.; Lazoryak, B.I.; Meert, K.W.; Korthout, K.; Smet, P.F.; Poelman, D.; Gauquelin, N.; Verbeeck, J.; Abakumov, A.M.; Hadermann, J.;
Title Crystal Structure and Luminescent Properties of R2-xEux(MoO4)(3) (R = Gd, Sm) Red Phosphors Type A1 Journal article
Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 26 Issue 24 Pages 7124-7136
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The R-2(MoO4)(3) (R = rare earth elements) molybdates doped with Eu3+ cations are interesting red-emitting materials for display and solid-state lighting applications. The structure and luminescent properties of the R2-xEux(MoO4)(3) (R = Gd, Sm) solid solutions have been investigated as a function of chemical composition and preparation conditions. Monoclinic (alpha) and orthorhombic (beta') R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) modifications were prepared by solid-state reaction, and their structures were investigated using synchrotron powder X-ray diffraction and transmission electron microscopy. The pure orthorhombic beta'-phases could be synthesized only by quenching from high temperature to room temperature for Gd2-xEux(MoO4)(3) in the Eu3+-rich part (x > 1) and for all Sm2-xEux(MoO4)(3) solid solutions. The transformation from the alpha-phase to the beta'-phase results in a notable increase (similar to 24%) of the unit cell volume for all R2-xEux(MoO4)(3) (R = Sm, Gd) solid solutions. The luminescent properties of all R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) solid solutions were measured, and their optical properties were related to their structural properties. All R2-xEux(MoO4)(3) (R = Gd, Sm; 0 <= x <= 2) phosphors emit intense red light dominated by the D-5(0)-> F-7(2) transition at similar to 616 nm. However, a change in the multiplet splitting is observed when switching from the monoclinic to the orthorhombic structure, as a consequence of the change in coordination polyhedron of the luminescent ion from RO8 to RO7 for the alpha- and beta'-modification, respectively. The Gd2-xEux(MoO4)(3) solid solutions are the most efficient emitters in the range of 0 < x < 1.5, but their emission intensity is comparable to or even significantly lower than that of Sm2-xEux(MoO4)(3) for higher Eu3+ concentrations (1.5 <= x <= 1.75). Electron energy loss spectroscopy (EELS) measurements revealed the influence of the structure and element content on the number and positions of bands in the ultraviolet-visible-infrared regions of the EELS spectrum.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000347139700027 Publication Date 2014-11-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 24 Open Access
Notes Fwo G039211n; G004413n; 278510 Vortex ECASJO_; Approved Most recent IF: 9.466; 2014 IF: 8.354
Call Number UA @ lucian @ c:irua:122829UA @ admin @ c:irua:122829 Serial 558
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Author Panin, R.V.; Khasanova, N.R.; Abakumov, A.M.; Schnelle, W.; Hadermann, J.; Antipov, E.V.
Title Crystal structure and properties of the Na1-xRu2O4 phase Type A1 Journal article
Year 2006 Publication Russian chemical bulletin Abbreviated Journal Russ Chem B+
Volume 55 Issue 10 Pages 1717-1722
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000245091400003 Publication Date 2007-03-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1066-5285;1573-9171; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.529 Times cited 5 Open Access
Notes Approved Most recent IF: 0.529; 2006 IF: 0.505
Call Number UA @ lucian @ c:irua:63810 Serial 566
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Author Çakir, D.; Sevik, C.; Peeters, F.M.
Title Engineering electronic properties of metal-MoSe2 interfaces using self-assembled monolayers Type A1 Journal article
Year 2014 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
Volume 2 Issue 46 Pages 9842-9849
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Metallic contacts are critical components of electronic devices and the presence of a large Schottky barrier is detrimental for an optimal device operation. Here, we show by using first-principles calculations that a self-assembled monolayer (SAM) of polar molecules between the metal electrode and MoSe2 monolayer is able to convert the Schottky contact into an almost Ohmic contact. We choose -CH3 and -CF3 terminated short-chain alkylthiolate (i.e. SCH3 and fluorinated alkylthiolates (SCF3)) based SAMs to test our approach. We consider both high (Au) and low (Sc) work function metals in order to thoroughly elucidate the role of the metal work function. In the case of Sc, the Fermi level even moves into the conduction band of the MoSe2 monolayer upon SAM insertion between the metal surface and the MoSe2 monolayer, and hence possibly switches the contact type from Schottky to Ohmic. The usual Fermi level pinning at the metal-transition metal dichalcogenide (TMD) contact is shown to be completely removed upon the deposition of a SAM. Systematic analysis indicates that the work function of the metal surface and the energy level alignment between the metal electrode and the TMD monolayer can be tuned significantly by using SAMs as a buffer layer. These results clearly indicate the vast potential of the proposed interface engineering to modify the physical and chemical properties of MoSe2.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000344998700007 Publication Date 2014-10-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 22 Open Access
Notes ; Part of this work is supported by the Flemish Science Foundation (FWO-VI) 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). D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. C. S. acknowledges the support from Scientific and Technological Research Council of Turkey (TUBITAK 113F096), Anadolu University (BAP-1306F281, -1404F158) and Turkish Academy of Science (TUBA). ; Approved Most recent IF: 5.256; 2014 IF: 4.696
Call Number UA @ lucian @ c:irua:122157 Serial 1046
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Author Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G.
Title Establishing uniform acceptance in force biased Monte Carlo simulations Type A1 Journal article
Year 2012 Publication Journal of chemical theory and computation Abbreviated Journal J Chem Theory Comput
Volume 8 Issue 6 Pages 1865-1869
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Uniform acceptance force biased Monte Carlo (UFMC) simulations have previously been shown to be a powerful tool to simulate atomic scale processes, enabling one to follow the dynamical path during the simulation. In this contribution, we present a simple proof to demonstrate that this uniform acceptance still complies with the condition of detailed balance, on the condition that the characteristic parameter lambda = 1/2 and that the maximum allowed step size is chosen to be sufficiently small. Furthermore, the relation to Metropolis Monte Carlo (MMC) is also established, and it is shown that UFMC reduces to MMC by choosing the characteristic parameter lambda = 0 [Rao, M. et al. Mol. Phys. 1979, 37, 1773]. Finally, a simple example compares the UFMC and MMC methods.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000305092400002 Publication Date 2012-05-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1549-9618;1549-9626; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.245 Times cited 20 Open Access
Notes Approved Most recent IF: 5.245; 2012 IF: 5.389
Call Number UA @ lucian @ c:irua:99090 Serial 1082
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Author Damm, H.; Adriaensens, P.; De Dobbelaere, C.; Capon, B.; Elen, K.; Drijkoningen, J.; Conings, B.; Manca, J.V.; D’Haen, J.; Detavernier, C.; Magusin, P.C.M.M.; Hadermann, J.; Hardy, A.; Van Bael, M.K.;
Title Factors Influencing the Conductivity of Aqueous Sol(ution)-Gel-Processed Al-Doped ZnO Films Type A1 Journal article
Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 26 Issue 20 Pages 5839-5851
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000343950300004 Publication Date 2014-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 24 Open Access
Notes Approved Most recent IF: 9.466; 2014 IF: 8.354
Call Number UA @ lucian @ c:irua:121211 Serial 1170
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Author Rehor, I.; Mackova, H.; Filippov, S.K.; Kucka, J.; Proks, V.; Slegerova, J.; Turner, S.; Van Tendeloo, G.; Ledvina, M.; Hruby, M.; Cigler, P.;
Title Fluorescent nanodiamonds with bioorthogonally reactive protein-resistant polymeric coatings Type A1 Journal article
Year 2014 Publication ChemPlusChem Abbreviated Journal Chempluschem
Volume 79 Issue 1 Pages 21-24
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The novel synthesis of a polymeric interface grown from the surface of bright fluorescent nanodiamonds is reported. The polymer enables bioorthogonal attachment of various molecules by click chemistry; the particles are resistant to nonspecific protein adsorption and show outstanding colloidal stability in buffers and biological media. The coating fully preserves the unique optical properties of the nitrogen-vacancy centers that are crucial for bioimaging and sensoric applications.
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Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000337974900002 Publication Date 2013-12-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2192-6506; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.797 Times cited 34 Open Access
Notes EU 7FP Program (no.262348); European Soft Matter Infrastructure; ESMI; ERC (grant no.246791)-COUNTATOMS; FWO Approved Most recent IF: 2.797; 2014 IF: 2.997
Call Number UA @ lucian @ c:irua:113088 Serial 1235
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Author Shan, L.; Punniyakoti, S.; Van Bael, M.J.; Temst, K.; Van Bael, M.K.; Ke, X.; Bals, S.; Van Tendeloo, G.; D'Olieslaeger, M.; Wagner, P.; Haenen, K.; Boyen, H.G.;
Title Homopolymers as nanocarriers for the loading of block copolymer micelles with metal salts : a facile way to large-scale ordered arrays of transition-metal nanoparticles Type A1 Journal article
Year 2014 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
Volume 2 Issue 4 Pages 701-707
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new and facile approach is presented for generating quasi-regular patterns of transition metal-based nanoparticles on flat substrates exploiting polystyrene-block-poly2vinyl pyridine (PS-b-P2VP) micelles as intermediate templates. Direct loading of such micellar nanoreactors by polar transition metal salts in solution usually results in nanoparticle ensembles exhibiting only short range order accompanied by broad distributions of particle size and inter-particle distance. Here, we demonstrate that the use of P2VP homopolymers of appropriate length as molecular carriers to transport precursor salts into the micellar cores can significantly increase the degree of lateral order within the final nanoparticle arrays combined with a decrease in spreading in particle size. Thus, a significantly extended range of materials is now available which can be exploited to study fundamental properties at the transition from clusters to solids by means of well-organized, well-separated, size-selected metal and metal oxide nanostructures.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000329069900015 Publication Date 2013-11-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 5 Open Access Not_Open_Access
Notes FWO projects G.0456.12; 50 G.0346.09N; Methusalem project "NANO Approved Most recent IF: 5.256; 2014 IF: 4.696
Call Number UA @ lucian @ c:irua:113734 Serial 1489
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Author Morozov, V.A.; Lazoryak, B.I.; Shmurak, S.Z.; Kiselev, A.P.; Lebedev, O.I.; Gauquelin, N.; Verbeeck, J.; Hadermann, J.; Van Tendeloo, G.
Title Influence of the structure on the properties of NaxEuy(MoO4)z red phosphors Type A1 Journal article
Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 26 Issue 10 Pages 3238-3248
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Scheelite related compounds (A',A '')(n)[(B',B '')O-4](m) with B', B '' = W and/or Mo are promising new materials for red phosphors in pc-WLEDs (phosphor-converted white-light-emitting-diode) and solid-state lasers. Cation substitution in CaMoO4 of Ca2+ by the combination of Na+ and Eu3+, with the creation of A cation vacancies, has been investigated as a factor for controlling the scheelite-type structure and the luminescent properties. Na5Eu(MoO4)(4) and NaxEu(2-x)/33+square(2-x)/3MoO4 (0.138 <= x <= 0.5) phases with a scheelite-type structure were synthesized by the solid state method; their structural characteristics were investigated using transmission electron microscopy. Contrary to powder synchrotron X-ray diffraction before, the study by electron diffraction and high resolution transmission electron microscopy in this paper revealed that Na0.286Eu0.571MoO4 has a (3 + 2)D incommensurately modulated structure and that (3 + 2)D incommensurately modulated domains are present in Na0.200Eu0.600MoO4. It also confirmed the (3 + 1)D incommensurately modulated character of Na(0.138)Eu(0.621)Mo04. The luminescent properties of all phases under near-ultraviolet (n-UV) light have been investigated. The excitation spectra of these phosphors show the strongest absorption at about 395 nm, which matches well with the commercially available n-UV-emitting GaN-based LED chip. The emission spectra indicate an intense red emission due to the D-5(0) -> F-7(2) transition of Eu3+, with local minima in the intensity at Na0.286Eu0.571MoO4 and Na0.200Eu0.600MoO4 for similar to 613 nm and similar to 616 nm bands. The phosphor Na5Eu(MoO4)(4) shows the brightest red light emission among the phosphors in the Na2MoO4-Eu2/3MoO4 system and the maximum luminescence intensity of Na5Eu(MoO4)(4) (lambda(ex) = 395 nm) in the D-5(0) -> F-7(2) transition region is close to that of the commercially used red phosphor YVO4:Eu3+ (lambda(ex) = 326 nm). Electron energy loss spectroscopy measurements revealed the influence of the structure and Na/Eu cation distribution on the number and positions of bands in the UV-optical-infrared regions of the EELS spectrum.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000336637000028 Publication Date 2014-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 53 Open Access
Notes Fwo G039211n; Fwo G004413n; 278510 Vortex ECASJO_; Approved Most recent IF: 9.466; 2014 IF: 8.354
Call Number UA @ lucian @ c:irua:117765UA @ admin @ c:irua:117765 Serial 1652
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Author Mazo, G.N.; Savvin, S.N.; Abakumov, A.M.; Hadermann, J.; Dobrovol'skii, Y.A.; Leonova, L.S.
Title Lanthanum-strontium cuprate as a promising cathodic matreila for solid oxide fuel cells Type A1 Journal article
Year 2007 Publication Russian journal of electrochemistry Abbreviated Journal Russ J Electrochem+
Volume 43 Issue 4 Pages 436-442
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000246338500010 Publication Date 2007-05-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1023-1935;1608-3342; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.828 Times cited 8 Open Access
Notes Approved Most recent IF: 0.828; 2007 IF: 0.263
Call Number UA @ lucian @ c:irua:62062 Serial 1777
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Author Batuk, M.; Batuk, D.; Tsirlin, A.A.; Filimonov, D.S.; Sheptyakov, D.V.; Frontzek, M.; Hadermann, J.; Abakumov, A.M.
Title Layered oxychlorides [PbBiO2]An+1BnO3n-1Cl2(A = Pb/Bi, B = Fe/Ti) : intergrowth of the hematophanite and sillen phases Type A1 Journal article
Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 27 Issue 27 Pages 2946-2956
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract New layered structures corresponding to the general formula [PbBiO2]A(n+1)B(n)O(3n-1)Cl(2) Were prepared. Pb5BiFe3O10Cl2 (n = 3) and Pb5Bi2Fe4O13Cl2 (n = 4) are built as a stacking of truncated A(n+1)B(n)O(3n-1) perovskite blocks and alpha-PbO-type [A(2)O(2)](2+) (A = Pb, Bi) blocks combined with chlorine sheets. The alternation of these structural blocks can be represented as an intergrowth between the hematophanite and Sullen-type structural blocks. The crystal and-Magnetic structures of Pb5BiFe3O10Cl2 and Pb5Bi2Fe4O13Cl2 were investigated in the temperature range of 1.5-700 K using X-ray and neutron powder diffraction, transmission electron microscopy and Fe-57 Mossbauer spectroscopy. Both compounds crystallize in the I4/mmm space group with the unit cell parameters a approximate to a(p) approximate to 3.92 angstrom (a unit-cell parameter of the perovskite-structure), c approximate to 43.0 angstrom for the n = 3 member and c approximate to 53.5 angstrom for the n = 4 member. Despite the large separation between the slabs containing the Fe3+ ions (nearly 14 angstrom), long-range antiferromagnetic order sets in below similar to 600 K with the G-type arrangement of the Fe magnetic moments aligned along the c-axis. The possibility of mixing d(0) and d(n) cations at the B sublattice of these structures was also demonstrated by preparing the Ti-substituted n = 4 member Pb6BiFe3TiO13Cl2.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000353865800028 Publication Date 2015-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 11 Open Access
Notes Approved Most recent IF: 9.466; 2015 IF: 8.354
Call Number c:irua:126060 Serial 1807
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Author Abakumov, A.M.; Tsirlin, A.A.; Bakaimi, I.; Van Tendeloo, G.; Lappas, A.
Title Multiple twinning as a structure directing mechanism in layered rock-salt-type oxides : NaMnO2 polymorphism, redox potentials, and magnetism Type A1 Journal article
Year 2014 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 26 Issue 10 Pages 3306-3315
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract New polymorphs of NaMnO2 have been observed using transmission electron microscopy and synchrotron X-ray powder diffraction. Coherent twin planes confined to the (NaMnO2) layers, parallel to the (10 (1) over bar) crystallographic planes of the monoclinic layered rock-salt-type alpha-NaMnO2 (O3) structure, form quasi-periodic modulated sequences, with the known alpha-and beta-NaMnO2 polymorphs as the two limiting cases. The energy difference between the polymorphic forms, estimated using a DFT-based structure relaxation, is on the scale of the typical thermal energies that results in a high degree of stacking disorder in these compounds. The results unveil the remarkable effect of the twin planes on both the magnetic and electrochemical properties. The polymorphism drives the magnetic ground state from a quasi-1D spin system for the geometrically frustrated alpha-polymorph through a two-leg spin ladder for the intermediate stacking sequence toward a quasi-2D magnet for the beta-polymorph. A substantial increase of the equilibrium potential for Na deintercalation upon increasing the concentration of the twin planes is calculated, providing a possibility to tune the electrochemical potential of the layered rock-salt ABO(2) cathodes by engineering the materials with a controlled concentration of twins.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000336637000036 Publication Date 2014-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 35 Open Access
Notes Approved Most recent IF: 9.466; 2014 IF: 8.354
Call Number UA @ lucian @ c:irua:117766 Serial 2232
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Author Vasiliev, R.B.; Babynina, A.V.; Maslova, O.A.; Rumyantseva, M.N.; Ryabova, L.I.; Dobrovolsky, A.A.; Drozdov, K.A.; Khokhlov, D.R.; Abakumov, A.M.; Gaskov, A.M.
Title Photoconductivity of nanocrystalline SnO2 sensitized with colloidal CdSe quantum dots Type A1 Journal article
Year 2013 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
Volume 1 Issue 5 Pages 1005-1010
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A highly reproducible photoresponse is observed in nanocrystalline SnO2 thick films sensitized with CdSe quantum dots. The effect of the SnO2 matrix microstructure on the photoconductivity kinetics and photoresponse amplitude is demonstrated. The photoresponse of the sensitized SnO2 thick films reaches more than two orders of magnitude under illumination with the wavelength of the excitonic transition of the quantum dots. Long-term photoconductivity kinetics and photoresponse dependence on illumination intensity reveal power-law behavior inherent to the disordered nature of SnO2. The photoconductivity of the samples rises with the coarsening of the granular structure of the SnO2 matrix. At the saturation region, the photoresponse amplitude remains stable under 10(4) pulses of illumination switching, demonstrating a remarkably high stability.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000314803600016 Publication Date 2012-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 13 Open Access
Notes Approved Most recent IF: 5.256; 2013 IF: NA
Call Number UA @ lucian @ c:irua:107705 Serial 2610
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Author Belik, A.; Izumi, F.; Ikeda, T.; Morozov, V.A.; Dilanian, R.; Torii, S.; Kopnin, E.; Lebedev, O.I.; Van Tendeloo, G.; Lazoryak, B.I.
Title Positional and orientational disorder in a solid solution of Sr9-xNi1.5-x(PO4)7 (x=0.3) Type A1 Journal article
Year 2002 Publication Chemistry and materials Abbreviated Journal Chem Mater
Volume 14 Issue Pages 4464-4472
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000178782900069 Publication Date 2002-10-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 28 Open Access
Notes Approved Most recent IF: 9.466; 2002 IF: 3.967
Call Number UA @ lucian @ c:irua:54768 Serial 2676
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Author Meynen, V.; Beyers, E.; Cool, P.; Vansant, E.F.; Mertens, M.; Weyten, H.; Lebedev, O.I.; Van Tendeloo, G.
Title Post-synthesis deposition of V-Zeolitic nanoparticles in SBA-15 Type A1 Journal article
Year 2004 Publication Chemical communications Abbreviated Journal Chem Commun
Volume Issue Pages 898-890
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000221124300084 Publication Date 2004-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited 22 Open Access
Notes Approved Most recent IF: 6.319; 2004 IF: 3.997
Call Number UA @ lucian @ c:irua:44934 Serial 2684
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Author Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K.
Title Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies Type A1 Journal article
Year 2012 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 131 Issue 7 Pages 1238
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2).
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000307274300003 Publication Date 2012-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.89 Times cited 5 Open Access
Notes Approved Most recent IF: 1.89; 2012 IF: 2.233
Call Number UA @ lucian @ c:irua:101139 Serial 2935
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Author Struzzi, C.; Erbahar, D.; Scardamaglia, M.; Amati, M.; Gregoratti, L.; Lagos; Van Tendeloo, G.; Snyders, R.; Ewels, C.; Bittencourt, C.
Title Selective decoration of isolated carbon nanotubes by potassium evaporation : scanning photoemission microscopy and density functional theory Type A1 Journal article
Year 2015 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
Volume 3 Issue 3 Pages 2518-2527
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Site selective doping of aligned carbon nanostructures represents a promising approach for their implementation in actual devices. In the present work we report on alkali metals decoration on low density vertically aligned carbon nanotubes, disclosing the possibility of engineering site selective depositions of potassium atoms on the carbon systems. Photoemission measurements were combined with microscopy demonstrating the effective spatial control of alkali deposition. The changes of electronic structures of locally doped carbon regions were studied by exploiting the ability of the scanning photoemission microscopy technique. From the analysis of experimental data supported by theoretical calculations, we show the tuning of the charge transfer from potassium to carbon atoms belonging to neighboring nanotubes or along the same tube structure.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000350984200011 Publication Date 2014-12-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 6 Open Access
Notes Approved Most recent IF: 5.256; 2015 IF: 4.696
Call Number c:irua:125496 Serial 2963
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Author Kolen'ko, Y.V.; Kovnir, K.A.; Gavrilov, A.I.; Garshev, A.V.; Meskin, P.E.; Churagulov, B.R.; Bouchard, M.; Colbeau-Justin, C.; Lebedev, O.I.; Van Tendeloo, G.; Yoshimura, M.
Title Structural, textural, and electronic properties of a nanosized mesoporous ZnxTi1-xO2-x solid solution prepared by a supercritical drying route Type A1 Journal article
Year 2005 Publication Journal of physical chemistry B Abbreviated Journal J Phys Chem B
Volume 109 Issue 43 Pages 20303-20309
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000232959800037 Publication Date 2005-10-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.177 Times cited 34 Open Access
Notes Approved Most recent IF: 3.177; 2005 IF: 4.033
Call Number UA @ lucian @ c:irua:54886 Serial 3264
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Author Abakumov, A.M.; Hadermann, J.; Rozova, M.G.; Pavljuk, B.P.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.
Title Synthesis and crystal structure of a new complex oxyfluoride La0.813Sr0.187Cu(o,F)3-\delta Type A1 Journal article
Year 2000 Publication Journal of solid state cemistry Abbreviated Journal J Solid State Chem
Volume 149 Issue Pages 189-196
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000085229200027 Publication Date 2002-09-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 8 Open Access
Notes Approved Most recent IF: 2.299; 2000 IF: 1.527
Call Number UA @ lucian @ c:irua:29280 Serial 3422
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Author Shpanchenko, R.V.; Tsirlin, A.A.; Hadermann, J.; Antipov, E.V.
Title Synthesis and crystal structure of new titanyl phosphate Sr2TiO(PO4)2 Type A1 Journal article
Year 2008 Publication Russian chemical bulletin Abbreviated Journal Russ Chem B+
Volume 57 Issue 3 Pages 552-556
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract New strontium titanyl phosphate Sr2TiO(PO4)2 (1) was synthesized and characterized by X-ray powder diffraction, electron diffraction, high-resolution electron microscopy, and band structure calculations. Titanyl phosphate 1 is isostructural with vanadyl phosphate Sr2VO(PO4)2 and has a layered structure. The titanium atoms are shifted from the centers of the TiO6 octahedra and form short (1.74 Å) titanyl bonds. The structure of 1 is an unusual example of the disordered orientation of the chains formed by TiO6 octahedra in complex titanium phosphates.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000263566900015 Publication Date 2009-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1066-5285;1573-9171; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.529 Times cited 2 Open Access
Notes Approved Most recent IF: 0.529; 2008 IF: 0.469
Call Number UA @ lucian @ c:irua:73712 Serial 3423
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Author Kalyuzhnaya, A.S.; Abakumov, A.M.; Rozova, M.G.; d' Hondt, H.; Hadermann, J.; Antipov, E.V.
Title Synthesis and crystal structure of the new complex oxide Ca7Mn2.14Ga5.86O17.93 Type A1 Journal article
Year 2010 Publication Russian chemical bulletin Abbreviated Journal Russ Chem B+
Volume 59 Issue 4 Pages 706-711
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The complex oxide Ca7Mn2.14Ga5.86O17.93 was synthesized by the solid-state reaction in a sealed evacuated quartz tube at 1000 °C. Its crystal structure was determined by electron diffraction and X-ray powder diffraction. The structure can be represented as a tetrahedral framework, viz., the polyanion [(Mn0.285Ga0.715)15O29.86]19- stabilized by the incorporated cation [Ca14GaO6]19+. The polycation consists of the GaO6 octahedra surrounded by the Ca atoms, which are arranged to form a cube capped at all places. The tetrahedral framework is partially disordered due to the presence of tetrahedra with two possible orientations in the positions (0, 0, 0) and (x, x, x) with x ≈ 0.15 and 0.17. The relationship between the Ca7Mn2.14Ga5.86O17.93 structures and related ordered phases with the symmetry F23, as well as the influence of the oxygen content on the ordering in the tetrahedral framework, are discussed.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000283302000006 Publication Date 2010-10-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1066-5285;1573-9171; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.529 Times cited 1 Open Access
Notes Approved Most recent IF: 0.529; 2010 IF: 0.629
Call Number UA @ lucian @ c:irua:85675 Serial 3427
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Author Francesconi, M.G.; Kirbyshire, A.L.; Greaves, C.; Richard, O.; Van Tendeloo, G.
Title Synthesis and structure of Bi14O20(SO4), a new bismuth oxide sulfate Type A1 Journal article
Year 1998 Publication Chem. mater. Abbreviated Journal Chem Mater
Volume 10 Issue Pages 626-632
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000072146800027 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 30 Open Access
Notes Approved Most recent IF: 9.466; 1998 IF: 3.359
Call Number UA @ lucian @ c:irua:25660 Serial 3442
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Author Colomer, J.-F.; Bister, G.; Willems, I.; Konya, Z.; Fonseca, A.; Van Tendeloo, G.; Nagy, J.B.
Title Synthesis of single wall carbon nanotubes by catalytic decomposition of hydrocarbons Type A1 Journal article
Year 1999 Publication Chemical communications Abbreviated Journal Chem Commun
Volume Issue Pages 1343-1344
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000082398800037 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.319 Times cited 110 Open Access
Notes Approved Most recent IF: 6.319; 1999 IF: 3.477
Call Number UA @ lucian @ c:irua:29719 Serial 3459
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Author Liang, D.; Follens, L.R.A.; Aerts, A.; Martens, J.A.; Van Tendeloo, G.; Kirschhock, C.E.A.
Title TEM observation of aggregation steps in room-temperature silicalite-1 zeolite formation Type A1 Journal article
Year 2007 Publication Journal of physical chemistry C Abbreviated Journal J Phys Chem C
Volume 111 Issue 39 Pages 14283-14285
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000249838300002 Publication Date 2007-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 41 Open Access
Notes ESA; IWT – Flanders; FWO Approved Most recent IF: 4.536; 2007 IF: NA
Call Number UA @ lucian @ c:irua:66617 Serial 3481
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Author Morozov, V.A.; Arakcheeva, A.V.; Pattison, P.; Meert, K.W.; Smet, P.F.; Poelman, D.; Gauquelin, N.; Verbeeck, J.; Abakumov, A.M.; Hadermann, J.
Title KEu(MoO4)2 : polymorphism, structures, and luminescent properties Type A1 Journal article
Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 27 Issue 27 Pages 5519-5530
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this paper, with the example of two different polymorphs of KEu(MoO4)2, the influence of the ordering of the A-cations on the luminescent properties in scheelite related compounds (A′,A″)n[(B′,B″)O4]m is investigated. The polymorphs were synthesized using a solid state method. The study confirmed the existence of only two polymorphic forms at annealing temperature range 9231203 K and ambient pressure: a low temperature anorthic α-phase and a monoclinic high temperature β-phase with an incommensurately modulated structure. The structures of both polymorphs were solved using transmission electron microscopy and refined from synchrotron powder X-ray diffraction data. The monoclinic β-KEu(MoO4)2 has a (3+1)-dimensional incommensurately modulated structure (superspace group I2/b(αβ0)00, a = 5.52645(4) Å, b = 5.28277(4) Å, c = 11.73797(8) Å, γ = 91.2189(4)o, q = 0.56821(2)a*0.12388(3)b*), whereas the anorthic α-phase is (3+1)-dimensional commensurately modulated (superspace group I1̅(αβγ)0, a = 5.58727(22) Å, b = 5.29188(18)Å, c = 11.7120(4) Å, α = 90.485(3)o, β = 88.074(3)o, γ = 91.0270(23)o, q = 1/2a* + 1/2c*). In both cases the modulation arises due to Eu/K cation ordering at the A site: the formation of a 2-dimensional Eu3+ network is characteristic for the α-phase, while a 3-dimensional Eu3+-framework is observed for the β-phase structure. The luminescent properties of KEu(MoO4)2 samples prepared under different annealing conditions were measured, and the relation between their optical properties and their structures is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000360323700011 Publication Date 2015-07-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 26 Open Access
Notes 278510 Vortex; Fwo G039211n; G004413n ECASJO_; Approved Most recent IF: 9.466; 2015 IF: 8.354
Call Number c:irua:127244 Serial 3537
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Author Sun, M.; Rousse, G.; Abakumov, A.M.; Saubanere, M.; Doublet, M.-L.; Rodriguez-Carvajal, J.; Van Tendeloo, G.; Tarascon, J.-M.
Title Li2Cu2O(SO4)2: a possible electrode for sustainable Li-based batteries showing a 4.7 V redox activity vs Li+/Li0 Type A1 Journal article
Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 27 Issue 27 Pages 3077-3087
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Li-ion batteries rely on the use of insertion positive electrodes with performances scaling with the redox potential of the 31) metals accompanying Liuptake/removal. Although not commonly studied, the Cu2+/Cu3+ redox potential has been predicted from theoretical calculations to possibly offer a high operating voltage redox couple. We herein report the synthesis and crystal structure of a hitherto-unknown oxysulfate phase, Li2Cu2O(SO4)(2), which contains infinite edgesharing CuO4 chains and presents attractive electrochemical redox activity with respect to Li+/Li, namely amphoteric characteristics. Li2Cu2O(SO4)(2) shows redox activity at 4.7 V vs Li+/Li corresponding to the oxidation of Cu2+ to Cu3+ enlisting ligand holes and associated with the reversible uptake-removal of 0.3 Li. Upon reduction, this compound reversibly uptakes similar to 2 Li at an average potential of about 2.5 V vs Li+/Li, associated with the Cu2+/Cu+ redox couple. The mechanism of the reactivity upon reduction is discussed in detail, with particular attention to the occasional appearance of an oscillation wave in the discharge profile. Our work demonstrates that Cu-based compounds can indeed be fertile scientific ground in the search for new high-energy-density electrodes.
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000353865800043 Publication Date 2015-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 20 Open Access
Notes Approved Most recent IF: 9.466; 2015 IF: 8.354
Call Number c:irua:126061 Serial 3541
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Author Rossell, M.D.; Abakumov, A.M.; Van Tendeloo, G.; Lomakov, M.V.; Istomin, S.Y.; Antipov, E.V.
Title Transmission electron microscopic study of the defect structure in Sr4Fe6O12+\delta compounds with variable oxygen content Type A1 Journal article
Year 2005 Publication Chemistry and materials Abbreviated Journal Chem Mater
Volume 17 Issue Pages 4717-4726
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (up) Editor
Language Wos 000231742600024 Publication Date 2005-08-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 17 Open Access
Notes Approved Most recent IF: 9.466; 2005 IF: 4.818
Call Number UA @ lucian @ c:irua:54772 Serial 3703
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