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Author Mandal, T.K.; Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Croft, M.; Greenblatt, M.
Title Synthesis, crystal structure, and magnetic properties of Srl.31Co0.63Mn0.3703: a reivative of the incommensurate composite hexagonal perovskite structure Type A1 Journal article
Year 2007 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 19 Issue 25 Pages 6158-6167
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000251422000019 Publication Date 2007-11-13
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 5 Open Access
Notes Approved Most recent IF: 9.466; 2007 IF: 4.883
Call Number UA @ lucian @ c:irua:67597 Serial 3449
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Author Pietra, F.; van Dijk-Moes, R.J.A.; Ke, X.; Bals, S.; Van Tendeloo, G.; de Mello Donega, C.; Vanmaekelbergh, D.
Title Synthesis of highly luminescent silica-coated CdSe/CdS nanorods Type A1 Journal article
Year 2013 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 25 Issue 17 Pages 3427-3434
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract CdSe(core)/CdS(shell) nanorods (NRs) have been extensively investigated for their unique optical properties, such as high photoluminescence (PL) quantum efficiency (QE) and polarized light emission. The incorporation of these NRs in silica (SiO2) is of high interest, since this renders them processable in polar solvents while increasing their photochemical stability, which would be beneficial for their application in LEDs and as biolabels. We report the synthesis of highly luminescent silica-coated CdSe/CdS NRs, by using the reverse micelle method. The mechanism for the encapsulation of the NRs in silica is unravelled and shown to be strongly influenced by the NR shape and its asymmetry. This is attributed to both the different morphology and the different crystallographic nature of the facets terminating the opposite tips of the NRs. These results lead to the formation of a novel class of NR architectures, whose symmetry can be controlled by tuning the degree of coverage of the silica shell. Interestingly, the encapsulation of the NRs in silica leads to a remarkable increase in their photostability, while preserving their optical properties.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000330097900004 Publication Date 2013-08-13
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 46 Open Access
Notes 262348 ESMI; 246791 COUNTATOMS; Hercules Approved Most recent IF: 9.466; 2013 IF: 8.535
Call Number UA @ lucian @ c:irua:110037 Serial 3456
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Author d' Hondt, H.; Abakumov, A.M.; Hadermann, J.; Kalyuzhnaya, A.S.; Rozova, M.G.; Antipov, E.V.; Van Tendeloo, G.
Title Tetrahedral chain order in the Sr2Fe2O5 brownmillerite Type A1 Journal article
Year 2008 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 20 Issue 22 Pages 7188-7194
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structure of the Sr2Fe2O5 brownmillerite has been investigated using electron diffraction and high resolution electron microscopy. The Sr2Fe2O5 structure demonstrates two-dimensional order: the tetrahedral chains with two mirror-related configurations (L and R) are arranged within the tetrahedral layers according to the −L−R−L−R− sequence, and the layers themselves are displaced with respect to each other over 1/2[111] or 1/2[11] vectors of the brownmillerite unit cell, resulting in different ordered stacking variants. A unified superspace model is constructed for ordered stacking sequences in brownmillerites based on the average brownmillerite structure with a = 5.5298(4)Å, b = 15.5875(12)Å, c = 5.6687(4)Å, and (3 + 1)-dimensional superspace group I2/m(0βγ)0s, q = βb* + γc*, 0 ≤ β ≤ 1/2, 0 ≤ γ ≤ 1.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000261002200039 Publication Date 2008-10-25
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 64 Open Access
Notes Iap Vi Approved Most recent IF: 9.466; 2008 IF: 5.046
Call Number UA @ lucian @ c:irua:72945 Serial 3511
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Author Fröba, M.; Köhn, R.; Bouffaud, G.; Richard, O.; Van Tendeloo, G.
Title _Fe2O3 nanoparticles with mesoporous MCM-48 silica: in situ formation and characterisation Type A1 Journal article
Year 1999 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 11 Issue Pages 2858-2865
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000083261100032 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 202 Open Access
Notes Approved Most recent IF: 9.466; 1999 IF: 3.273
Call Number UA @ lucian @ c:irua:29721 Serial 3530
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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 Editor (up)
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 Morozov, V.A.; Arakcheeva, A.V.; Chapuis, G.; Guiblin, N.; Rossell, M.D.; Van Tendeloo, G.
Title KNd(MoO4)2: a new incommensurate modulated structure in the scheelite family Type A1 Journal article
Year 2006 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 18 Issue 17 Pages 4075-4082
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000239758300022 Publication Date 2006-07-28
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 46 Open Access
Notes Iap V-1 Approved Most recent IF: 9.466; 2006 IF: 5.104
Call Number UA @ lucian @ c:irua:60688 Serial 3538
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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 Editor (up)
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 Govorov, V.A.; Abakumov, A.M.; Rozova, M.G.; Borzenko, A.G.; Vassiliev, S.Y.; Mazin, V.M.; Afanasov, M.I.; Fabritchnyi, P.B.; Tsirlina, G.A.; Antipov, E.V.; Morozova, E.N.; Gippius, A.A.; Ivanov, V.V.; Van Tendeloo, G.
Title Sn2-2xSbxFexO4 solid solutions as possible inert anode materials in aluminum electrolysis Type A1 Journal article
Year 2005 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 17 Issue 11 Pages 3004-3011
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000229656000030 Publication Date 2005-05-24
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; 2005 IF: 4.818
Call Number UA @ lucian @ c:irua:59053 Serial 3554
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Author Whaley, L.W.; Lobanov, M.V.; Sheptyakov, D.; Croft, M.; Ramanujachary, K.V.; Lofland, S.; Stephens, P.W.; Her, J.H.; Van Tendeloo, G.; Rossell, M.; Greenblatt, M.;
Title Sr3Fe5/4Mo3/4O6.9, an n = 2 Ruddlesden-Popper phase: synthesis and properties Type A1 Journal article
Year 2006 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 18 Issue 15 Pages 3448-3457
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000239085900010 Publication Date 2006-06-22
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 15 Open Access
Notes Approved Most recent IF: 9.466; 2006 IF: 5.104
Call Number UA @ lucian @ c:irua:60579 Serial 3560
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Author Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Kovba, M.L.; Skolis, Y.Y.; Mudretsova, S.N.; Antipov, E.V.; Volkova, O.S.; Vasiliev, A.N.; Tristan, N.; Klingeler, R.; Büchner, B.
Title [SrF0.8(OH)0.2]2.526[Mn6O12]: columnar rock-salt fragments inside the todorokite-type tunnel structure Type A1 Journal article
Year 2007 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 19 Issue 5 Pages 1181-1189
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000244467800035 Publication Date 2007-02-13
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 9 Open Access
Notes Iap V-1 Approved Most recent IF: 9.466; 2007 IF: 4.883
Call Number UA @ lucian @ c:irua:62525 Serial 3561
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Author Eckert, M.; Mortet, V.; Zhang, L.; Neyts, E.; Verbeeck, J.; Haenen, ken; Bogaerts, A.
Title Theoretical investigation of grain size tuning during prolonged bias-enhanced nucleation Type A1 Journal article
Year 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 23 Issue 6 Pages 1414-1423
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, the effects of prolonged bias-enhanced nucleation (prolonged BEN) on the growth mechanisms of diamond are investigated by molecular dynamics (MD) and combined MD-Metropolis Monte Carlo (MD-MMC) simulations. First, cumulative impacts of CxHy+ and Hx+ on an a-C:H/nanodiamond composite were simulated; second, nonconsecutive impacts of the dominant ions were simulated in order to understand the observed phenomena in more detail. As stated in the existing literature, the growth of diamond structures during prolonged BEN is a process that takes place below the surface of the growing film. The investigation of the penetration behavior of CxHy+ and Hx+ species shows that the carbon-containing ions remain trapped within this amorphous phase where they dominate mechanisms like precipitation of sp3 carbon clusters. The H+ ions, however, penetrate into the crystalline phase at high bias voltages (>100 V), destroying the perfect diamond structure. The experimentally measured reduction of grain sizes at high bias voltage, reported in the literature, might thus be related to penetrating H+ ions. Furthermore, the CxHy+ ions are found to be the most efficient sputtering agents, preventing the build up of defective material.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000288291400011 Publication Date 2011-02-23
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 9 Open Access
Notes Iwt; Fwo; Esteem 026019; Iap Approved Most recent IF: 9.466; 2011 IF: 7.286
Call Number UA @ lucian @ c:irua:87642 Serial 3605
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Author Pop, N.; Pralong, V.; Caignaert, V.; Colin, J.F.; Malo, S.; Van Tendeloo, G.; Raveau, B.
Title Topotactic transformation of the cationic conductor Li4Mo5O17 into a rock salt type oxide Li12Mo5O17 Type A1 Journal article
Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 21 Issue 14 Pages 3242-3250
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Intercalation of lithium in the ribbon structure Li4Mo5O17 has been achieved, using both electrochemistry and soft chemistry. The ab initio structure determination of the ¡°Mo−O¡± framework of Li12Mo5O17 shows that the [Mo5O17]¡Þ ribbons keep the same arrangement of edge sharing MoO6 octahedra and the same orientation as in the parent structure but that a topotactic antidistortion of the ribbons appears, as a result of the larger size of Mo4+ in ¡°Li12¡± compared to Mo6+ in ¡°Li4¡±. On the basis of bond valence calculations, it is observed that 12 octahedral sites are available for Li+ in the new structure so that an ordered hypothetical rock salt type structure can be proposed for Li12Mo5O17. After the first Li insertion, a stable reversible capacity of 100 mA¡¤h/g is maintained after 20 cycles. A complete structural reversibility leading back to the ribbon type Li4Mo5O17 structure is obtained using a very low rate of C/100. The exploration of the Li mobility in those oxides shows that Li4Mo5O17 is a cationic conductor with ¦Ò = 10−3.5 S/cm at 500 ¡ãC and Ea = 0.35 eV.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000268174400032 Publication Date 2009-06-24
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 18 Open Access
Notes Approved Most recent IF: 9.466; 2009 IF: 5.368
Call Number UA @ lucian @ c:irua:78285 Serial 3682
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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 Editor (up)
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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Author Efimov, K.; Xu, Q.; Feldhoff, A.
Title Transmission electron microscopy study of BA0.5Sr0.5CO0.8Fe0.2O3-\delta Perovskite decomposition at intermediate temperatures Type A1 Journal article
Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 22 Issue 21 Pages 5866-5875
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The cubic perovskite Ba(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) (denoted BSCF) is the state-of-the-art ceramic membrane material used for oxygen separation technologies above 1150 K. BSCF is a mixed oxygen-ion and electron conductor (MIEC) and exhibits one of the highest oxygen permeabilities reported so far for dense oxides. Additionally, it has excellent phase stability above 1150 K. In the intermediate temperature range (750-1100 K), however, BSCF suffers from a slow decomposition of the cubic perovskite into variants with hexagonal stacking that are barriers to oxygen transport. To elucidate details of the decomposition process, both sintered BSCF ceramic and powder were annealed for 180-240 h in ambient air at temperatures below 1123 K and analyzed by different transmission electron microscopy techniques. Aside from hexagonal perovskite Ba(0.5)Sr(0.5)CoO(3-delta) , the formation of lamellar noncubic phases was observed in the quenched samples. The structure of the lamellae with the previously unknown composition Ba(1-x)Sr(x)Co(2-y)Fe(y)O(5-delta) was found to be related to the 15R hexagonal perovskite polytype. The valence and spin-state transition of cobalt leading to a considerable diminution of its ionic radius can be considered a reason for BSCF's inherent phase instability at intermediate temperatures.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000283623700010 Publication Date 2010-10-13
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 117 Open Access
Notes Esteem 026019 Approved Most recent IF: 9.466; 2010 IF: 6.400
Call Number UA @ lucian @ c:irua:95546 Serial 3720
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Author Dendooven, J.; Goris, B.; Devloo-Casier, K.; Levrau, E.; Biermans, E.; Baklanov, M.R.; Ludwig, K.F.; van der Voort, P.; Bals, S.; Detavernier, C.
Title Tuning the pore size of ink-bottle mesopores by atomic layer deposition Type A1 Journal article
Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 24 Issue 11 Pages 1992-1994
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000305092600002 Publication Date 2012-05-03
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 52 Open Access
Notes Fwo Approved Most recent IF: 9.466; 2012 IF: 8.238
Call Number UA @ lucian @ c:irua:99078 Serial 3760
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Author Kazakov, S.M.; Abakumov, A.M.; Perz-Mato, J.M.; Ovchinnikov, A.V.; Roslova, M.V.; Boltalin, A.I.; Morozov, I.V.; Antipov, E.V.; Van Tendeloo, G.
Title Uniform patterns of Fe-vacancy ordering in the Kx(Fe,Co)2-ySe2 superconductors Type A1 Journal article
Year 2011 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 23 Issue 19 Pages 4311-4316
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The Fe-vacancy ordering patterns in the superconducting KxFe2ySe2 and nonsuperconducting Kx(Fe,Co)2ySe2 samples have been investigated by electron diffraction and high angle annular dark field scanning transmission electron microscopy. The Fe-vacancy ordering occurs in the ab plane of the parent ThCr2Si2-type structure, demonstrating two types of patterns. Superstructure I retains the tetragonal symmetry and can be described with the aI = bI = as√5 (as is the unit cell parameter of the parent ThCr2Si2-type structure) supercell and I4/m space group. Superstructure II reduces the symmetry to orthorhombic with the aII = as√2, bII = 2as√2 supercell and the Ibam space group. This type of superstructure is observed for the first time in KxFe2ySe2. The Fe-vacancy ordering is inhomogeneous: the disordered areas interleave with the superstructures I and II in the same crystallite. The observed superstructures represent the compositionally dependent uniform ordering patterns of two species (the Fe atoms and vacancies) on a square lattice. More complex uniform ordered configurations, including compositional stripes, can be predicted for different chemical compositions of the KxFe2ySe2 (0 < y < 0.5) solid solutions.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000295487800005 Publication Date 2011-09-13
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; 2011 IF: 7.286
Call Number UA @ lucian @ c:irua:92805 Serial 3810
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Author Lebedev, O.I.; Turner, S.; Caignaert, V.; Cherepanov, V.A.; Raveau, B.
Title Exceptional layered ordering of cobalt and iron in perovskites Type A1 Journal article
Year 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 28 Issue 28 Pages 2907-2911
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor (up)
Language Wos 000375810400005 Publication Date 2016-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 4 Open Access
Notes Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:133640 Serial 4178
Permanent link to this record
 

 
Author Sathiya, M.; Thomas, J.; Batuk, D.; Pimenta, V.; Gopalan, R.; Tarascon, J.-M.
Title Dual stabilization and sacrificial effect of Na2CO3 for increasing capacities of Na-Ion cells based on P2-NaxMO2 electrodes Type A1 Journal article
Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 29 Issue 14 Pages 5948-5956
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Sodium ion battery technology is gradually advancing and can be viewed as a viable alternative to lithium ion batteries in niche applications. One of the promising positive electrode candidates is P2 type layered sodium transition metal oxide, which offers attractive sodium ion conductivity. However, the reversible capacity of P2 phases is limited by the inability to directly synthesize stoichiometric compounds with a sodium to transition metal ratio equal to 1. To alleviate this issue, we report herein the in situ synthesis of P2-NaxO2 (x <= 0.7, M = transition metal ions)-Na2CO3 composites. We find that sodium carbonate acts as a sacrificial salt, providing Na+ ion to increase the reversible capacity of the P2 phase in sodium ion full cells, and also as a useful additive that stabilizes the formation of P2 over competing P3 phases. We offer a new phase diagram for tuning the synthesis of the P2 phase under various experimental conditions and demonstrate, by in situ XRD analysis, the role of Na2CO3 as a sodium reservoir in full sodium ion cells. These results provide insights into the practical use of P2 layered materials and can be extended to a variety of other layered phases.
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor (up)
Language Wos 000406573200026 Publication Date 2017-07-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 26 Open Access Not_Open_Access
Notes ; M.S., J.T., and R.G. acknowledge the financial support received from the Department of Science and Technology (DST-SERC), Government of India under the funding from the TRC Grant Agreement No. AI/1/65/ARCI/2014. The authors are thankful to Dr. Sundararajan, Chairman, TRC and Dr. G. Padmanabham, Director, ARCI for helpful discussions. Initial microscopy analysis by Dr. M. B. Sahana, Dr. Prabu, and Mr. Ravi Gautham of ARCI are greatly acknowledged. The elemental analysis by Dr. Domitille Giaume, IRCP – ENSCP, Chimie Paris Tech, Paris is greatly acknowledged. ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:145759 Serial 4740
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Author Verchenko, V.Y.; Wei, Z.; Tsirlin, A.A.; Callaert, C.; Jesche, A.; Hadermann, J.; Dikarev, E.V.; Shevelkov, A.V.
Title Crystal growth of the Nowotny chimney ladder phase Fe2Ge3 : exploring new Fe-based narrow-gap semiconductor with promising thermoelectric performance Type A1 Journal article
Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 29 Issue 23 Pages 9954-9963
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('A new synthetic approach based on chemical transport reactions has been introduced to obtain the Nowotny chimney ladder phase Fe2Ge3 in the form of single crystals and polycrystalline powders. The single crystals possess the stoichiometric composition and the commensurate chimney ladder structure of the Ru2Sn3 type in contrast to the polycrystalline samples that are characterized by a complex microstructure. In compliance with the 18-n electron counting rule formulated for T-E intermetallics, electronic structure calculations reveal a narrow-gap semiconducting behavior of Fe2Ge3 favorable for high thermoelectric performance. Measurements of transport and thermoelectric properties performed on the polycrystalline samples confirm the formation of a narrow band gap of similar to 30 meV and reveal high absolute values of the Seebeck coefficient at elevated temperatures. Low glass-like thermal conductivity is observed in a wide temperature range that might be caused by the underlying complex microstructure.'));
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor (up)
Language Wos 000418206600013 Publication Date 2017-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 11 Open Access OpenAccess
Notes ; The authors thank Dr. Sergey Kazakov and Oleg Tyablikov for their help with the PXRD experiments. V.Y.V. appreciates the help of Dr. Sergey Dorofeev in provision and handling of the Mo(CO)<INF>6</INF> reagent. The work is supported by the Russian Science Foundation, Grant No. 17-13-01033. V.Y.V. appreciates the support from the European Regional Development Fund, Project No. TK134. A.A.T. acknowledges financial support by the Federal Ministry for Education and Research under the Sofia Kovalevskaya Award of the Alexander von Humboldt Foundation. E.V.D. thanks the National Science Foundation, Grant No. CHE-1152441. C.C. acknowledges the support from the University of Antwerp through the BOF Grant No. 31445. ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:148531 Serial 4869
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Author Arias-Duque, C.; Bladt, E.; Munoz, M.A.; Hernandez-Garrido, J.C.; Cauqui, M.A.; Rodriguez-Izquierdo, J.M.; Blanco, G.; Bals, S.; Calvino, J.J.; Perez-Omil, J.A.; Yeste, M.P.
Title Improving the redox response stability of ceria-zirconia nanocatalysts under harsh temperature conditions Type A1 Journal article
Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 29 Issue 29 Pages 9340-9350
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('By depositing ceria on the surface of yttrium stabilized zirconia (YSZ) nanocrystals and further activation under high-temperature reducing conditions, a 13% mol. CeO2/YSZ catalyst structured as subnanometer thick, pyrochlore-type, ceria-zirconia islands has been prepared. This nanostructured catalyst depicts not only high oxygen storage capacity (OSC) values but, more importantly, an outstandingly stable redox response upon oxidation and reduction treatments at very high temperatures, above 1000 degrees C. This behavior largely improves that observed on conventional ceria-zirconia solid solutions, not only of the same composition but also of those with much higher molar cerium contents. Advanced scanning transmission electron microscopy (STEM-XEDS) studies have revealed as key not only to detect the actual state of the lanthanide in this novel nanocatalyst but also to rationalize its unusual resistance to redox deactivation at very high temperatures. In particular, high-resolution X-ray dispersive energy studies have revealed the presence of unique bilayer ceria islands on top of the surface of YSZ nanocrystals, which remain at surface positions upon oxidation and reduction treatments up to 1000 degrees C. Diffusion of ceria into the bulk of these crystallites upon oxidation at 1100 degrees C irreversibly deteriorates both the reducibility and OSC of this nanostructured catalyst.'));
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor (up)
Language Wos 000415911600047 Publication Date 2017-10-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 20 Open Access OpenAccess
Notes ; Financial support from MINECO/FEDER (Project ref: MAT2013-40823-R), Junta de Andalucia (FQM334 and FQM110), and EU FP7 (ESTEEM2) are acknowledged. E.B. and S.B. acknowledges financial support from European Research Council (ERC- Starting Grant #33S078-COLOURA-TOM). J.C.H.-G. acknowledges support from the Ramon y Cajal Fellowships Program of MINECO (RYC-2012-10004). ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:147706UA @ admin @ c:irua:147706 Serial 4880
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Author Savina, A.A.; Morozov, V.A.; Buzlukov, A.L.; Arapova, I.Y.; Stefanovich, S.Y.; Baklanova, Y.V.; Denisova, T.A.; Medvedeva, N.I.; Bardet, M.; Hadermann, J.; Lazoryak, B.I.; Khaikina, E.G.
Title New solid electrolyte Na9Al(MoO4)6 : structure and Na+ ion conductivity Type A1 Journal article
Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 29 Issue 20 Pages 8901-8913
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('Solid electrolytes are important materials with a wide range of technological applications. This work reports the crystal structure and electrical properties of a new solid electrolyte Na9Al(MoO4)(6). The monoclinic Na9Al(MoO4)(6) consists of isolated polyhedral, [Al(MoO4)(6)](9-) clusters composed of a central AlO6 octahedron sharing vertices with six MoO4 tetrahedra to form a three-dimensional framework. The AlO6 octahedron also shares edges with one NalO(6) octahedron and two Na2O(6) octahedra. Na3-Na5 atoms are located in the framework cavities. The structure is related to that of sodium ion conductor II-Na3Fe2(AsO4)(3). High-temperature conductivity measurements revealed that the conductivity (sigma) of Na9Al(MoO4)(6) at 803 K equals 1.63 X 10(-2) S cm(-1). The temperature behavior of the Na-23 and Al-27 nuclear magnetic resonance spectra and the spin-lattice relaxation rates of the Na-23 nuclei indicate the presence of fast Na+ ion diffusion in the studied compound. At T\u003C490 K, diffusion occurs by means of Na+ ion jumps exclusively through the sublattice of Na3-Na5 positions, whereas Na1 and Na2 become involved in the diffusion processes (through chemical exchange with the Na3-Na5 sublattice) only at higher temperatures.'));
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor (up)
Language Wos 000413884900037 Publication Date 2017-09-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 13 Open Access OpenAccess
Notes ; The research was performed within the state assignment of FASO of Russia (Themes 01201463330, A16-116122810214-9, and 0339-2016-0007), supported in part by the Russian Foundation for Basic Research (Projects 16-03-00510, 16-03-00164, and 17-03-00333). ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:147432 Serial 4886
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Author Grimaud, A.; Iadecola, A.; Batuk, D.; Saubanere, M.; Abakumov, A.M.; Freeland, J.W.; Cabana, J.; Li, H.; Doublet, M.-L.; Rousse, G.; Tarascon, J.-M.
Title Chemical activity of the peroxide/oxide redox couple : case study of Ba5Ru2O11 in aqueous and organic solvents Type A1 Journal article
Year 2018 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 30 Issue 11 Pages 3882-3893
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The finding that triggering the redox activity of oxygen ions within the lattice of transition metal oxides can boost the performances of materials used in energy storage and conversion devices such as Li-ion batteries or oxygen evolution electrocatalysts has recently spurred intensive and innovative research in the field of energy. While experimental and theoretical efforts have been critical in understanding the role of oxygen nonbonding states in the redox activity of oxygen ions, a clear picture of the redox chemistry of the oxygen species formed upon this oxidation process is still missing. This can be, in part, explained by the complexity in stabilizing and studying these species once electrochemically formed. In this work, we alleviate this difficulty by studying the phase Ba5Ru2O11, which contains peroxide O-2(2-) groups, as oxygen evolution reaction electrocatalyst and Li-ion battery material. Combining physical characterization and electrochemical measurements, we demonstrate that peroxide groups can easily be oxidized at relatively low potential, leading to the formation of gaseous dioxygen and to the instability of the oxide. Furthermore, we demonstrate that, owing to the stabilization at high energy of peroxide, the high-lying energy of the empty sigma* antibonding O-O states limits the reversibility of the electrochemical reactions when the O-2(2-)/O2- redox couple is used as redox center for Li-ion battery materials or as OER redox active sites. Overall, this work suggests that the formation of true peroxide O-2(2-) states are detrimental for transition metal oxides used as OER catalysts and Li-ion battery materials. Rather, oxygen species with O-O bond order lower than 1 would be preferred for these applications.
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor (up)
Language Wos 000435416600038 Publication Date 2018-05-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 2 Open Access Not_Open_Access
Notes ; We thank S. Belin of the ROCK beamline (financed by the French National Research Agency (ANR) as a part of the “Investissements d'Avenir” program, reference: ANR-10-EQPX-45; proposal no. 20160095) of synchrotron SOLEIL for her assistance during XAS measurements. Authors would also like to thank V. Nassif for her assistance on the D1B beamline. A.G, G.R, and J.-M.T. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant Project 670116-ARPEMA. ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:151980 Serial 5016
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Author Quintanilla, M.; Zhang, Y.; Liz-Marzan, L.M.
Title Subtissue plasmonic heating monitored with CaF2:Nd3+,Y3+ nanothermometers in the second biological window Type A1 Journal article
Year 2018 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 30 Issue 8 Pages 2819-2828
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Measuring temperature in biological environments is an ambitious goal toward supporting medical treatment and diagnosis. Minimally invasive techniques based on optical probes require very specific properties that are difficult to combine within a single material. These include high chemical stability in aqueous environments, optical signal stability, low toxicity, high emission intensity, and, essential, working at wavelengths within the biological transparency windows so as to minimize invasiveness while maximizing penetration depth. We propose CaF2:Nd3+,Y3+ as a candidate for thermometry based on an intraband ratiometric approach, fully working within the biological windows (excitation at 808 nm; emission around 1050 nm). We optimized the thermal probes through the addition of Y3+ as a dopant to improve both emission intensity and thermal sensitivity. To define the conditions under which the proposed technique can be applied, gold nanorods were used to optically generate subtissue hot areas, while the resulting temperature variation was monitored with the new nanothermometers.
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor (up)
Language Wos 000431088400038 Publication Date 2018-03-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 28 Open Access Not_Open_Access
Notes ; The authors would like to thank Dr. Guillermo Gonzalez Rubio for the kind support with the synthesis of gold nanorods. M.Q and L.M.L.-M. acknowledge financial support from the European Commission under the Marie Sklodowska-Curie program (H2020-MSCA-IF-2014_659021 – PHELLINI). Y.Z. acknowledges financial support from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreement No. 665501 through a FWO [PEGASUS]^2 Marie Sklodowska-Curie fellowship (12U4917N). ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:151576 Serial 5042
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Author Morozov, V.; Deyneko, D.; Basoyich, O.; Khaikina, E.G.; Spassky, D.; Morozov, A.; Chernyshev, V.; Abakumov, A.; Hadermann, J.
Title Incommensurately modulated structures and luminescence properties of the AgxSm(2-x)/3WO4 (x=0.286, 0.2) scheelites as thermographic phosphors Type A1 Journal article
Year 2018 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 30 Issue 14 Pages 4788-4798
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ag+ for Sm3+ substitution in the scheelite-type AgxSm(2-x)/3 square(1-2x)/3WO4 tungstates has been investigated for its influence on the cation-vacancy ordering and luminescence properties. A solid state method was used to synthesize the x = 0.286 and x = 0.2 compounds, which exhibited (3 + 1)D incommensurately modulated structures in the transmission electron microscopy study. Their structures were refined using high resolution synchrotron powder X-ray diffraction data. Under near-ultraviolet light, both compounds show the characteristic emission lines for (4)G(5/2) -> H-6(J) (J = 5/2, 7/2, 9/2, and 11/2) transitions of the Sm3+ ions in the range 550-720 nm, with the J = 9/2 transition at the similar to 648 nm region being dominant for all photoluminescence spectra. The intensities of the (4)G(5/2) -> H-6(9/2) and (4)G(5/2) -> H-6(7/2) bands have different temperature dependencies. The emission intensity ratios (R) for these bands vary reproducibly with temperature, allowing the use of these materials as thermographic phosphors.
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor (up)
Language Wos 000440105500037 Publication Date 2018-06-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 2 Open Access Not_Open_Access
Notes ; This research was supported by FWO (Project G039211N), Flanders Research Foundation. The research was carried out within the state assignment of FASO of Russia (Themes No. 0339-2016-0007). V.M. thanks the Russian Foundation for Basic Research (Grant 18-03-00611) for financial support. E.G.K. and O.B. acknowledge financial support from the Russian Foundation for Basic Research (Grant 16-03-00510). D.D. thanks the Foundation of the Russian Federation President (Grant MK-3502.2018.5) for financial support. We are grateful to the ESRF for granting the beamtime. V.C. is grateful for the financial support of the Russian Ministry of Science and Education (Project No. RFMEFI61616X0069). We are grateful to the ESRF for the access to ID22 station (experiment MA-3313). ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:153156 Serial 5107
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Author De Sloovere, D.; Safari, M.; Elen, K.; D'Haen, J.; Drozhzhin, O.A.; Abakumov, A.M.; Simenas, M.; Banys, J.; Bekaert, J.; Partoens, B.; Van Bael, M.K.; Hardy, A.
Title Reduced Na2+xTi4O9 composite : a durable anode for sodium-ion batteries Type A1 Journal article
Year 2018 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 30 Issue 23 Pages 8521-8527
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Sodium-ion batteries (SIBs) are potential cost-effective solutions for stationary energy storage applications. Unavailability of suitable anode materials, however, is one of the important barriers to the maturity of SIBs. Here, we report a Na2+xTi4O9/C composite as a promising anode candidate for SIBs with high capacity and cycling stability. This anode is characterized by a capacity of 124 mAh g(-1) (plus 11 mAh g(-1) contributed by carbon black), an average discharge potential of 0.9 V vs Na/Na+, a good rate capability and a high stability (89% capacity retention after 250 cycles at a rate of 1 degrees C). The mechanisms of sodium insertion/deinsertion and of the formation of Na2+xTi4O9/C are investigated with the aid of various ex/in situ characterization techniques. The in situ formed carbon is necessary for the formation of the reduced sodium titanate. This synthesis method may enable the convenient synthesis of other composites of crystalline phases with amorphous carbon.
Address
Corporate Author Thesis
Publisher Place of Publication Editor (up)
Language Wos 000453489300014 Publication Date 2018-11-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 7 Open Access
Notes ; This work was supported by the FWO (Research Foundation Flanders, project G040116). O.A.D. and A.M.A. are grateful to the Russian Science Foundation for financial support (Grant 17-73-30006). The authors acknowledge Pieter Samyn for Raman spectroscopy, Fulya Ulu Okudur for preliminary TEM, Bart Ruttens for XRD, Hilde Pellaers for SEM, Tom Haeldermans for elemental analysis, and Karen Leyssen and Vera Meynen for physisorption measurements. ; Approved Most recent IF: 9.466
Call Number UA @ admin @ c:irua:156235 Serial 5227
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Author Tan, X.; Stephens, P.W.; Hendrickx, M.; Hadermann, J.; Segre, C.U.; Croft, M.; Kang, C.-J.; Deng, Z.; Lapidus, S.H.; Kim, S.W.; Jin, C.; Kotliar, G.; Greenblatt, M.
Title Tetragonal Cs1.17In0.81Cl3 : a charge-ordered indium halide perovskite derivative Type A1 Journal article
Year 2019 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 31 Issue 6 Pages 1981-1989
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Polycrystalline samples of Cs1.17In0.81Cl3 were prepared by annealing a mixture of CsCl, InCl, and InCl3, stoichiometric for the targeted CsInCl3. Synchrotron powder X-ray diffraction refinement and chemical analysis by energy dispersive X-ray indicated that Cs1.17In0.81Cl3, a tetragonal distorted perovskite derivative (I4/m), is the thermodynamically stable product. The refined unit cell parameters and space group were confirmed by electron diffraction. In the tetragonal structure, In+ and In3+ are located in four different crystallographic sites, consistent with their corresponding bond lengths. In1, In2, and In3 are octahedrally coordinated, whereas In4 is at the center of a pentagonal bipyramid of Cl because of the noncooperative octahedral tilting of In4Cl6. The charged-ordered In+ and In3+ were also confirmed by X-ray absorption and Raman spectroscopy. Cs1.17In0.81Cl3 is the first example of an inorganic halide double perovskite derivative with charged-ordered In+ and In3+. Band structure and optical conductivity calculations were carried out with both generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) approach; the GGA calculations estimated the band gap and optical band gap to be 2.27 eV and 2.4 eV, respectively. The large and indirect band gap suggests that Cs1.17In0.81Cl3 is not a good candidate for photovoltaic application.
Address
Corporate Author Thesis
Publisher Place of Publication Editor (up)
Language Wos 000462950400017 Publication Date 2019-02-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 6 Open Access OpenAccess
Notes ; M.G. and X.T. were supported by the Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant No. DE-FOA-0001276. M.G. also acknowledges support of NSF-DMR-1507252 grant. G.K. and C.-J.K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. The use of the Advanced Photon Source at the Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The works at IOPCAS were supported by NSF & MOST of China through research projects. ; Approved Most recent IF: 9.466
Call Number UA @ admin @ c:irua:159413 Serial 5262
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Author Minjauw, M.M.; Solano, E.; Sree, S.P.; Asapu, R.; Van Daele, M.; Ramachandran, R.K.; Heremans, G.; Verbruggen, S.W.; Lenaerts, S.; Martens, J.A.; Detavernier, C.; Dendooven, J.
Title Plasma-enhanced atomic layer deposition of silver using Ag(fod)(PEt3) and NH3-plasma Type A1 Journal article
Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 29 Issue 17 Pages 7114-7121
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract A plasma-enhanced atomic layer deposition (ALD) process using the Ag(fod)(PEt3) precursor [(triethylphosphine)(6,6,7,7,8,8,8-heptafluoro-2,2-dimethy1-3,5-octanedionate)silver(I)] in combination with NH3-plasma is reported. The steady growth rate of the reported process (0.24 +/- 0.03 nm/cycle) was found to be 6 times larger than that of the previously reported Ag ALD process based on the same precursor in combination with H-2-plasma (0.04 +/- 0.02 nm/cycle). The ALD characteristics of the H-2-plasma and NH3-plasma processes were verified. The deposited Ag films were polycrystalline face-centered cubic Ag for both processes. The film morphology was investigated by ex situ scanning electron microscopy and grazing-incidence small-angle X-ray scattering, and it was found that films grown with the NH3-plasma process exhibit a much higher particle areal density and smaller particle sizes on oxide substrates compared to those deposited using the H-2-plasma process. This control over morphology of the deposited Ag is important for applications in catalysis and plasmonics. While films grown with the H-2-plasma process had oxygen impurities (similar to 9 atom %) in the bulk, the main impurity for the NH3-plasma process was nitrogen (similar to 7 atom %). In situ Fourier transform infrared spectroscopy experiments suggest that these nitrogen impurities are derived from NH surface groups generated during the NH3-plasma, which interact with the precursor molecules during the precursor pulse. We propose that the reaction of these surface groups with the precursor leads to additional deposition of Ag atoms during the precursor pulse compared to the H-2-plasma process, which explains the enhanced growth rate of the NH3-plasma process.
Address
Corporate Author Thesis
Publisher Place of Publication Editor (up)
Language Wos 000410868600012 Publication Date 2017-08-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 9 Open Access
Notes ; M.M.M. and J.D. acknowledge the Fonds Wetenschappelijk Onderzoek Vlaanderen (FWO Vlaanderen) for financial support through a personal research grant. We also acknowledge FWO Vlaanderen for providing project funding for this work. We are grateful to the ESRF staff for smoothly running the synchrotron and beamline facilities. We also thank Olivier Janssens for performing the SEM measurements and Stefaan Broekaert for mechanical assistance. J.A.M. acknowledges the Flemish Government for long-term structural funding (Methusalem). ; Approved Most recent IF: 9.466
Call Number UA @ admin @ c:irua:146757 Serial 5983
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Author Feng, H.L.; Kang, C.-J.; Manuel, P.; Orlandi, F.; Su, Y.; Chen, J.; Tsujimoto, Y.; Hadermann, J.; Kotliar, G.; Yamaura, K.; McCabe, E.E.; Greenblatt, M.
Title Antiferromagnetic order breaks inversion symmetry in a metallic double perovskite, Pb₂NiOsO₆ Type A1 Journal article
Year 2021 Publication Chemistry Of Materials Abbreviated Journal Chem Mater
Volume 33 Issue 11 Pages 4188-4195
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A polycrystalline sample of Pb2NiOsO6 was synthesized under high-pressure (6 GPa) and high-temperature (1575 K) conditions. Pb2NiOsO6 crystallizes in a monoclinic double perovskite structure with a centrosymmetric space group P2(1)/n at room temperature. Pb2NiOsO6 is metallic down to 2 K and shows a single antiferromagnetic (AFM) transition at T-N = 58 K. Pb2NiOsO6 is a new example of a metallic and AFM oxide with three-dimensional connectivity. Neutron powder diffraction and first-principles calculation studies indicate that both Ni and Os moments are ordered below T-N and the AFM magnetic order breaks inversion symmetry. This loss of inversion symmetry driven by AFM order is unusual in metallic systems, and the 3d-Sd double-perovskite oxides represent a new class of noncentrosymmetric AFM metallic oxides.
Address
Corporate Author Thesis
Publisher Place of Publication Editor (up)
Language Wos 000661521800032 Publication Date 2021-05-26
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 Open Access OpenAccess
Notes Approved Most recent IF: 9.466
Call Number UA @ admin @ c:irua:179679 Serial 6854
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Author Hao, Y.; Velpula, G.; Kaltenegger, M.; Bodlos, W.R.; Vibert, F.; Mali, K.S.; De Feyter, S.; Resel, R.; Geerts, Y.H.; Van Aert, S.; Beljonne, D.; Lazzaroni, R.
Title From 2D to 3D : bridging self-assembled monolayers to a substrate-induced polymorph in a molecular semiconductor Type A1 Journal article
Year 2022 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 34 Issue 5 Pages 2238-2248
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this study, a new bottom-up approach is proposed to predict the crystal structure of the substrate-induced polymorph (SIP) of an archetypal molecular semiconductor. In spite of intense efforts, the formation mechanism of SIPs is still not fully understood, and predicting their crystal structure is a very delicate task. Here, we selected lead phthalocyanine (PbPc) as a prototypical molecular material because it is a highly symmetrical yet nonplanar molecule and we demonstrate that the growth and crystal structure of the PbPc SIPs can be templated by the corresponding physisorbed self-assembled molecular networks (SAMNs). Starting from SAMNs of PbPc formed at the solution/graphite interface, the structural and energetic aspects of the assembly were studied by a combination of in situ scanning tunneling microscopy and multiscale computational chemistry approach. Then, the growth of a PbPc SIP on top of the physisorbed monolayer was modeled without prior experimental knowledge, from which the crystal structure of the SIP was predicted. The theoretical prediction of the SIP was verified by determining the crystal structure of PbPc thin films using X-ray diffraction techniques, revealing the formation of a new polymorph of PbPc on the graphite substrate. This study clearly illustrates the correlation between the SAMNs and SIPs, which are traditionally considered as two separate but conceptually connected research areas. This approach is applicable to molecular materials in general to predict the crystal structure of their SIPs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor (up)
Language Wos 000812125800001 Publication Date 2022-02-17
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 8.6 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 8.6
Call Number UA @ admin @ c:irua:189086 Serial 7084
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Author Turner, S.; Verbeeck, J.; Ramezanipour, F.; Greedan, J.E.; Van Tendeloo, G.; Botton, G.A.
Title Atomic resolution coordination mapping in Ca2FeCoO5 brownmillerite by spatially resolved electron energy-loss spectroscopy Type A1 Journal article
Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 24 Issue 10 Pages 1904-1909
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Using a combination of high-angle annular dark field scanning transmission electron microscopy and atomically resolved electron energy-loss spectroscopy at high energy resolution in an aberration-corrected electron microscope, we demonstrate the capability of coordination mapping in complex oxides. Brownmillerite compound Ca2FeCoO5, consisting of repetitive octahedral and tetrahedral coordination layers with Fe and Co in a fixed 3+ valency, is selected to demonstrate the principle of atomic resolution coordination mapping. Analysis of the Co-L2,3 and the Fe-L2,3 edges shows small variations in the fine structure that can be specifically attributed to Co/Fe in tetrahedral or in octahedral coordination. Using internal reference spectra, we show that the coordination of the Fe and Co atoms in the compound can be mapped at atomic resolution.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor (up)
Language Wos 000304237500024 Publication Date 2012-04-25
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 33 Open Access
Notes A.M. Abakumov is thanked for fruitful discussions. S.T. gratefully acknowledges the Fund for Scientific Research Flanders (FWO). J.E.G. and GAB. acknowledge the support of the NSERC of Canada through Discovery Grants. The Canadian Centre for Electron Microscopy is a National Facility supported by NSERC and McMaster University and was funded by the Canada Foundation for Innovation and the Ontario Government. Part of this work was supported by funding from the European Research Council under the FP7, ERC Grant N 246791 COUNTATOMS and ERC Starting Grant N 278510 VORTEX. The EMAT microscope is partially funded by the Hercules fund of the Flemish Government. ECASJO_; Approved Most recent IF: 9.466; 2012 IF: 8.238
Call Number UA @ lucian @ c:irua:98379UA @ admin @ c:irua:98379 Serial 175
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