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Author Watanabe, Y.; Hyeon-Deuk, K.; Yamamoto, T.; Yabuuchi, M.; Karakulina, O.M.; Noda, Y.; Kurihara, T.; Chang, I.-Y.; Higashi, M.; Tomita, O.; Tassel, C.; Kato, D.; Xia, J.; Goto, T.; Brown, C.M.; Shimoyama, Y.; Ogiwara, N.; Hadermann, J.; Abakumov, A.M.; Uchida, S.; Abe, R.; Kageyama, H.
Title Polyoxocationic antimony oxide cluster with acidic protons Type A1 Journal article
Year 2022 Publication Science Advances Abbreviated Journal
Volume 8 Issue 24 Pages eabm5379-8
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The success and continued expansion of research on metal-oxo clusters owe largely to their structural richness and wide range of functions. However, while most of them known to date are negatively charged polyoxometalates, there is only a handful of cationic ones, much less functional ones. Here, we show an all-inorganic hydroxyiodide [H(10.)7Sb(32.1)O(44)][H2.1Sb2.1I8O6][Sb0.76I6](2)center dot 25H(2)O (HSbOI), forming a face-centered cubic structure with cationic Sb32O44 clusters and two types of anionic clusters in its interstitial spaces. Although it is submicrometer in size, electron diffraction tomography of HSbOI allowed the construction of the initial structural model, followed by powder Rietveld refinement to reach the final structure. The cationic cluster is characterized by the presence of acidic protons on its surface due to substantial Sb3+ deficiencies, which enables HSbOI to serve as an excellent solid acid catalyst. These results open up a frontier for the exploration and functionalization of cationic metal-oxo clusters containing heavy main group elements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000812533800008 Publication Date 2022-06-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.6 Times cited Open Access OpenAccess
Notes (up) Approved Most recent IF: 13.6
Call Number UA @ admin @ c:irua:189689 Serial 7091
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Author Hendrickx, M.; Paulus, A.; Kirsanova, M.A.; Van Bael, M.K.; Abakumov, A.M.; Hardy, A.; Hadermann, J.
Title The influence of synthesis method on the local structure and electrochemical properties of Li-rich/Mn-rich NMC cathode materials for Li-Ion batteries Type A1 Journal article
Year 2022 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 12 Issue 13 Pages 2269-18
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Electrochemical energy storage plays a vital role in combating global climate change. Nowadays lithium-ion battery technology remains the most prominent technology for rechargeable batteries. A key performance-limiting factor of lithium-ion batteries is the active material of the positive electrode (cathode). Lithium- and manganese-rich nickel manganese cobalt oxide (LMR-NMC) cathode materials for Li-ion batteries are extensively investigated due to their high specific discharge capacities (>280 mAh/g). However, these materials are prone to severe capacity and voltage fade, which deteriorates the electrochemical performance. Capacity and voltage fade are strongly correlated with the particle morphology and nano- and microstructure of LMR-NMCs. By selecting an adequate synthesis strategy, the particle morphology and structure can be controlled, as such steering the electrochemical properties. In this manuscript we comparatively assessed the morphology and nanostructure of LMR-NMC (Li1.2Ni0.13Mn0.54Co0.13O2) prepared via an environmentally friendly aqueous solution-gel and co-precipitation route, respectively. The solution-gel (SG) synthesized material shows a Ni-enriched spinel-type surface layer at the {200} facets, which, based on our post-mortem high-angle annual dark-field scanning transmission electron microscopy and selected-area electron diffraction analysis, could partly explain the retarded voltage fade compared to the co-precipitation (CP) synthesized material. In addition, deviations in voltage fade and capacity fade (the latter being larger for the SG material) could also be correlated with the different particle morphology obtained for both materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000824547500001 Publication Date 2022-07-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.3 Times cited Open Access Not_Open_Access
Notes (up) Approved Most recent IF: 5.3
Call Number UA @ admin @ c:irua:189591 Serial 7098
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Author Sanchez-Barriga, J.; Aguilera, I.; Yashina, L., V; Tsukanova, D.Y.; Freyse, F.; Chaika, A.N.; Callaert, C.; Abakumov, A.M.; Hadermann, J.; Varykhalov, A.; Rienks, E.D.L.; Bihlmayer, G.; Blugel, S.; Rader, O.
Title Anomalous behavior of the electronic structure of (Bi1-xInx)2Se3across the quantum phase transition from topological to trivial insulator Type A1 Journal article
Year 2018 Publication Physical review B Abbreviated Journal
Volume 98 Issue 23 Pages 235110
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Using spin- and angle-resolved photoemission spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi1-xInx)(2)Se-3)(2)Se-3 bulk single crystals around the critical point of the trivial to topological insulator quantum-phase transition. By increasing x, we observe how a surface gap opens at the Dirac point of the initially gapless topological surface state of Bi2Se3, leading to the existence of massive fermions. The surface gap monotonically increases for a wide range of x values across the topological and trivial sides of the quantum-phase transition. By means of photon-energy-dependent measurements, we demonstrate that the gapped surface state survives the inversion of the bulk bands which occurs at a critical point near x = 0.055. The surface state exhibits a nonzero in-plane spin polarization which decays exponentially with increasing x, and which persists in both the topological and trivial insulator phases. Our calculations reveal qualitative agreement with the experimental results all across the quantum-phase transition upon the systematic variation of the spin-orbit coupling strength. A non-time-reversal symmetry-breaking mechanism of bulk-mediated scattering processes that increase with decreasing spin-orbit coupling strength is proposed as explanation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000452322800003 Publication Date 2018-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes (up) Approved no
Call Number UA @ admin @ c:irua:156240 Serial 7462
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Author Takatsu, H.; Hernandez, O.; Yoshimune, W.; Prestipino, C.; Yamamoto, T.; Tassel, C.; Kobayashi, Y.; Batuk, D.; Shibata, Y.; Abakumov, A.M.; Brown, C.M.; Kageyama, H.
Title Cubic lead perovskite PbMoO3 with anomalous metallic behavior Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal
Volume 95 Issue 15 Pages 155105
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A previously unreported Pb-based perovskite PbMoO3 is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the Pm3m cubic structure at room temperature, making it distinct from typical Pb-based perovskite oxides with a structural distortion. PbMoO3 exhibits a metallic behavior down to 0.1 K with an unusual T-sublinear dependence of the electrical resistivity. Moreover, a large specific heat is observed at low temperatures accompanied by a peak in C-P/T-3 around 10 K, in marked contrast to the isostructural metallic system SrMoO3. These transport and thermal properties for PbMoO3, taking into account anomalously large Pb atomic displacements detected through diffraction experiments, are attributed to a low-energy vibrational mode, associated with incoherent off-centering of lone-pair Pb2+ cations. We discuss the unusual behavior of the electrical resistivity in terms of a polaronlike conduction, mediated by the strong coupling between conduction electrons and optical phonons of the local low-energy vibrational mode.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000440605700001 Publication Date 2017-04-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes (up) Approved no
Call Number UA @ admin @ c:irua:167288 Serial 7743
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Author Alexander, C.T.; Abakumov, A.M.; Forslund, R.P.; Johnston, K.P.; Stevenson, K.J.
Title Role of the carbon support on the oxygen reduction and evolution activities in LaNiO3 composite electrodes in alkaline solution Type A1 Journal article
Year 2018 Publication ACS applied energy materials Abbreviated Journal
Volume 1 Issue 4 Pages 1549-1558
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Metal-air batteries and fuel cells show a great deal of promise in advancing low-cost, high-energy-density charge storage solutions for sustainable energy applications. To improve the activities and stabilities of electrocatalysts for the critical oxygen reduction and evolution reactions (ORR and OER, respectively), a greater understanding is needed of the catalyst/carbon interactions and carbon stability. Herein, we report how LaNiO3 (LNO) supported on nitrogen-doped carbon nanotubes (N-CNT) made from a high-yield synthesis lowers the overpotential for both the OER and ORR markedly to enable a low bifunctional window of 0.81 V at only a 51 mu g cm(-2) mass loading. Furthermore, the addition of LNO to the N-CNTs improves the galvanostatic stability for the OER by almost 2 orders of magnitude. The nanoscale geometries of the perovskites and the CNTs enhance the number of metal-support and charge transfer interactions and thus the activity. We use rotating ring disk electrodes (RRDEs) combined with Tafel slope analysis and ICP-OES to quantitatively separate current contributions from the OER, carbon oxidation, and even anodic iron leaching from carbon nanotubes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000458705400020 Publication Date 2018-03-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes (up) Approved no
Call Number UA @ admin @ c:irua:157642 Serial 8487
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Author Dubrovinskaia, N.; Dubrovinsky, L.; Solopova, N.A.; Abakumov, A.; Turner, S.; Hanfland, M.; Bykova, E.; Bykov, M.; Prescher, C.; Prakapenka, V.B.; Petitgirard, S.; Chuvashova, I.; Gasharova, B.; Mathis, Y.-L.; Ershov, P.; Snigireva, I.; Snigirev, A.
Title Terapascal static pressure generation with ultrahigh yield strength nanodiamond Type A1 Journal article
Year 2016 Publication Science Advances Abbreviated Journal
Volume 2 Issue 7 Pages e1600341-12
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Studies of materials' properties at high and ultrahigh pressures lead to discoveries of unique physical and chemical phenomena and a deeper understanding of matter. In high-pressure research, an achievable static pressure limit is imposed by the strength of available strong materials and design of high-pressure devices. Using a high-pressure and high-temperature technique, we synthesized optically transparent microballs of bulk nanocrystalline diamond, which were found to have an exceptional yield strength (similar to 460 GPa at a confining pressure of similar to 70 GPa) due to the unique microstructure of bulk nanocrystalline diamond. We used the nanodiamond balls in a double-stage diamond anvil cell high-pressure device that allowed us to generate static pressures beyond 1 TPa, as demonstrated by synchrotron x-ray diffraction. Outstanding mechanical properties (strain-dependent elasticity, very high hardness, and unprecedented yield strength) make the nanodiamond balls a unique device for ultrahigh static pressure generation. Structurally isotropic, homogeneous, and made of a low-Z material, they are promising in the field of x-ray optical applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000381805300029 Publication Date 2016-07-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes (up) Approved no
Call Number UA @ admin @ c:irua:190527 Serial 8647
Permanent link to this record
 

 
Author Shevchenko, V.A.; Glazkova, I.S.; Novichkov, D.A.; Skvortsova, I.; V. Sobolev, A.; Abakumov, A.M.; Presniakov, I.A.; Drozhzhin, O.A.; V. Antipov, E.
Title Competition between the Ni and Fe redox in the O3-NaNi1/3Fe1/3Mn1/3O2 cathode material for Na-ion batteries Type A1 Journal article
Year 2023 Publication Chemistry of materials Abbreviated Journal
Volume 35 Issue 10 Pages 4015-4025
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Sodium-ion batteries are attracting great attention due to their low cost and abundance of sodium. The O3-type NaNi1/3Fe1/3Mn1/3O2 layered oxide material is a promising candidate for positive electrodes (cathodes) in Na-ion batteries. However, its stable electrochemical performance is restricted by the upper voltage limit of 4.0 V (vs Na/Na+), which allows for reversibly removing 0.5-0.55 Na+ per formula unit, corresponding to the capacity of 120-130 mAh.g(-1). Further reduction of sodium content inevitably accelerates capacity degradation, and this issue calls for a detailed study of the redox reactions that accompany the electrochemical (de)intercalation of a large amount of sodium. Here, we present operando and ex situ studies using powder X-ray diffraction and X-ray absorption spectroscopy combined with Fe-57 Mossbauer spectroscopy. Our approach reveals the sequence of the redox transitions that occur during the charge and discharge of O3-NaNi1/3Fe1/3Mn1/3O2. Our data show that in addition to nickel and iron cations oxidizing to M+4, a part of iron transforms into the “3 + delta” state owing to the fast electron exchange Fe3+ + Fe4+ <-> Fe4+ + Fe3+. This process freezes upon cooling the material to 35 K, producing Fe4+ cations, some of which occupy tetrahedral positions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000985970200001 Publication Date 2023-05-04
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
Notes (up) Approved Most recent IF: 8.6; 2023 IF: 9.466
Call Number UA @ admin @ c:irua:197352 Serial 9013
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Author Abakumov, A.M.; Hadermann, J.; Bals, S.; Nikolaev, I.V.; Antipov, E.V.; Van Tendeloo, G.
Title Crystallographic shear structures as a route to anion-deficient perovskites Type A1 Journal article
Year 2006 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
Volume 45 Issue 40 Pages 6697-6700
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000241474500022 Publication Date 2006-09-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851;1521-3773; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited 62 Open Access
Notes (up) Approved Most recent IF: 11.994; 2006 IF: 10.232
Call Number UA @ lucian @ c:irua:61689 Serial 589
Permanent link to this record
 

 
Author McCalla, E.; Abakumov, A.; Rousse, G.; Reynaud, M.; Sougrati, M.T.; Budic, B.; Mahmoud, A.; Dominko, R.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.;
Title Novel complex stacking of fully-ordered transition metal layers in Li4FeSbO6 materials Type A1 Journal article
Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 27 Issue 27 Pages 1699-1708
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract As part of a broad project to explore Li4MM'O-6 materials (with M and M' being selected from a wide variety of metals) as positive electrode materials for Li-ion batteries, the structures of Li4FeSbO6 materials with both stoichiometric and slightly deficient lithium contents are studied here. For lithium content varying from 3.8 to 4.0, the color changes from yellow to black and extra superstructure peaks are seen in the XRD patterns. These extra peaks appear as satellites around the four superstructure peaks affected by the stacking of the transition metal atoms. Refinements of both XRD and neutron scattering patterns show a nearly perfect ordering of Li, Fe, and Sb in the transition metal layers of all samples, although these refinements must take the stacking faults into account in order to extract information about the structure of the TM layers. The structure of the most lithium rich sample, where the satellite superstructure peaks are seen, was determined with the help of HRTEM, XRD, and neutron scattering. The satellites arise due to a new stacking sequence where not all transition metal layers are identical but instead two slightly different compositions stack in an AABB sequence giving a unit cell that is four times larger than normal for such monoclinic layered materials. The more lithium deficient samples are found to contain metal site vacancies based on elemental analysis and Mossbauer spectroscopy results. The significant changes in physical properties are attributed to the presence of these vacancies. This study illustrates the great importance of carefully determining the final compositions in these materials, as very small differences in compositions may have large impacts on structures and properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000350919000032 Publication Date 2015-02-12
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 22 Open Access
Notes (up) Approved Most recent IF: 9.466; 2015 IF: 8.354
Call Number c:irua:125469 Serial 2373
Permanent link to this record
 

 
Author Zhukova, A.A.; Rumyantseva, M.N.; Zaytsev, V.B.; Zaytseva, A.V.; Abakumov, A.M.; Gaskov, A.M.
Title Pd nanoparticles on SnO2(Sb) whiskers : aggregation and reactivity in CO detection Type A1 Journal article
Year 2013 Publication Journal of alloys and compounds Abbreviated Journal J Alloy Compd
Volume 565 Issue Pages 6-10
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Single crystal antimony-doped SnO2 whiskers have been synthesized by in situ doping process in horizontal flow reactor. The produced whiskers were modified with 0.1, 0.2, 0.5, 1 or 2 wt.% Pd. The processes of Pd particles growth and aggregation are described on the base of AFM and STEM data. Depending on the content of introduced Pd precursor, the various mechanisms (Volmer-Weber or Stranski-Krastanov) of Pd nanoparticles growth realize. The dependence of sensor signal to CO on Pd concentration has non-monotonous character determined by the size of Pd nanoparticles and their aggregation degree. The best sensor signal toward CO was observed for whiskers decorated with 0.1 wt.% Pd. This concentration corresponds to the presence of individual 3-5 nm Pd nanoparticles on the surface of the whiskers. (C) 2013 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000317815300002 Publication Date 2013-03-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-8388; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.133 Times cited Open Access
Notes (up) Approved Most recent IF: 3.133; 2013 IF: 2.726
Call Number UA @ lucian @ c:irua:108424 Serial 2566
Permanent link to this record
 

 
Author Blandy, J.N.; Abakumov, A.M.; Christensen, K.E.; Hadermann, J.; Adamson, P.; Cassidy, S.J.; Ramos, S.; Free, D.G.; Cohen, H.; Woodruff, D.N.; Thompson, A.L.; Clarke, S.J.;
Title Soft chemical control of the crystal and magnetic structure of a layered mixed valent manganite oxide sulfide Type A1 Journal article
Year 2015 Publication APL materials Abbreviated Journal Apl Mater
Volume 3 Issue 3 Pages 041520
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Oxidative deintercalation of copper ions from the sulfide layers of the layered mixed-valent manganite oxide sulfide Sr2MnO2Cu1.5S2 results in control of the copper-vacancy modulated superstructure and the ordered arrangement of magnetic moments carried by the manganese ions. This soft chemistry enables control of the structures and properties of these complex materials which complement mixed-valent perovskite and perovskite-related transition metal oxides. (C) 2015 Author(s).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000353828400027 Publication Date 2015-04-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2166-532X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.335 Times cited 5 Open Access
Notes (up) Approved Most recent IF: 4.335; 2015 IF: NA
Call Number c:irua:126021 Serial 3049
Permanent link to this record
 

 
Author Lander, L.; Rousse, G.; Abakumov, A.M.; Sougrati, M.; Van Tendeloo, G.; Tarascon, J.-M.
Title Structural, electrochemical and magnetic properties of a novel KFeSO4F polymorph Type A1 Journal article
Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
Volume 3 Issue 3 Pages 19754-19764
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In the quest for sustainable and low-cost positive electrode materials for Li-ion batteries, we discovered, as reported herein, a new low temperature polymorph of KFeSO4F. Contrary to the high temperature phase crystallizing in a KTiOPO4-like structure, this new phase adopts a complex layer-like structure built on FeO4F2 octahedra and SO4 tetrahedra, with potassium cations located in between the layers, as solved using neutron and synchrotron diffraction experiments coupled with electron diffraction. The detailed analysis of the structure reveals an alternation of edge-and corner-shared FeO4F2 octahedra leading to a large monoclinic cell of 1771.774(7) angstrom(3). The potassium atoms are mobile within the structure as deduced by ionic conductivity measurements and confirmed by the bond valence energy landscape approach thus enabling a partial electrochemical removal of K+ and uptake of Li+ at an average potential of 3.7 V vs. Li+/Li-0. Finally, neutron diffraction experiments coupled with SQUID measurements reveal a long range antiferromagnetic ordering of the Fe2+ magnetic moments below 22 K with a possible magnetoelectric behavior.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000362041300018 Publication Date 2015-08-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.867 Times cited 11 Open Access
Notes (up) Approved Most recent IF: 8.867; 2015 IF: 7.443
Call Number UA @ lucian @ c:irua:132566 Serial 4253
Permanent link to this record
 

 
Author Sathiya, M.; Abakumov, A.M.; Foix, D.; Rousse, G.; Ramesha, K.; Saubanère, M.; Doublet, M. .; Vezin, H.; Laisa, C.P.; Prakash, A.S.; Gonbeau, D.; Van Tendeloo, G.; Tarascon, J.M.
Title Origin of voltage decay in high-capacity layered oxide electrodes Type A1 Journal article
Year 2015 Publication Nature materials Abbreviated Journal Nat Mater
Volume 14 Issue 14 Pages 230-238
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Although Li-rich layered oxides (Li1+xNiyCozMn1−x−y−zO2 > 250 mAh g−1) are attractive electrode materials providing energy densities more than 15% higher than todays commercial Li-ion cells, they suffer from voltage decay on cycling. To elucidate the origin of this phenomenon, we employ chemical substitution in structurally related Li2RuO3 compounds. Li-rich layered Li2Ru1−yTiyO3 phases with capacities of ~240 mAh g−1 exhibit the characteristic voltage decay on cycling. A combination of transmission electron microscopy and X-ray photoelectron spectroscopy studies reveals that the migration of cations between metal layers and Li layers is an intrinsic feature of the chargedischarge process that increases the trapping of metal ions in interstitial tetrahedral sites. A correlation between these trapped ions and the voltage decay is established by expanding the study to both Li2Ru1−ySnyO3 and Li2RuO3; the slowest decay occurs for the cations with the largest ionic radii. This effect is robust, and the finding provides insights into new chemistry to be explored for developing high-capacity layered electrodes that evade voltage decay.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000348600200024 Publication Date 2014-12-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1476-1122;1476-4660; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 39.737 Times cited 395 Open Access
Notes (up) 246791 Countatoms; 312483 Esteem2; esteem2_ta Approved Most recent IF: 39.737; 2015 IF: 36.503
Call Number c:irua:132555 c:irua:132555 Serial 2528
Permanent link to this record
 

 
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
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 (up) 278510 Vortex; Fwo G039211n; G004413n ECASJO_; Approved Most recent IF: 9.466; 2015 IF: 8.354
Call Number c:irua:127244 Serial 3537
Permanent link to this record
 

 
Author Mefford, J.T.; Kurilovich, A.A.; Saunders, J.; Hardin, W.G.; Abakumov, A.M.; Forslund, R.P.; Bonnefont, A.; Dai, S.; Johnston, K.P.; Stevenson, K.J.
Title Decoupling the roles of carbon and metal oxides on the electrocatalytic reduction of oxygen on La1-xSrxCoO3-\delta perovskite composite electrodes Type A1 Journal article
Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 21 Issue 6 Pages 3327-3338
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Perovskite oxides are active room-temperature bifunctional oxygen electrocatalysts in alkaline media, capable of performing the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with lower combined overpotentials relative to their precious metal counterparts. However, their semiconducting nature necessitates the use of activated carbons as conductive supports to generate applicably relevant current densities. In efforts to advance the performance and theory of oxide electrocatalysts, the chemical and physical properties of the oxide material often take precedence over contributions from the conductive additive. In this work, we find that carbon plays an important synergistic role in improving the performance of La1-xSrxCoO3- (0 x 1) electrocatalysts through the activation of O-2 and spillover of radical oxygen intermediates, HO2- and O-2(-), which is further reduced through chemical decomposition of HO2- on the perovskite surface. Through a combination of thin-film rotating disk electrochemical characterization of the hydrogen peroxide intermediate reactions (hydrogen peroxide reduction reaction (HPRR), hydrogen peroxide oxidation reaction (HPOR)) and oxygen reduction reaction (ORR), surface chemical analysis, HR-TEM, and microkinetic modeling on La1-xSrxCoO3- (0 x 1)/carbon (with nitrogen and non-nitrogen doped carbons) composite electrocatalysts, we deconvolute the mechanistic aspects and contributions to reactivity of the oxide and carbon support.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000459584900049 Publication Date 2019-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 5 Open Access OpenAccess
Notes (up) ; Financial support for this work was provided by the R. A. Welch Foundation (grants F-1529 and F-1319). S. D. was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. ; Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:158625 Serial 5244
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Author Weber, D.; Huber, M.; Gorelik, T.E.; Abakumov, A.M.; Becker, N.; Niehaus, O.; Schwickert, C.; Culver, S.P.; Boysen, H.; Senyshyn, A.; Poettgen, R.; Dronskowski, R.; Ressler, T.; Kolb, U.; Lerch, M.
Title Molybdenum oxide nitrides of the Mo2(O,N,\square)5 type : on the way to Mo2O5 Type A1 Journal article
Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 56 Issue 15 Pages 8782-8792
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Blue-colored molybdenum oxide nitrides of the Mo-2(O,N,square)(5) type were synthesized by direct nitridation of commercially available molybdenum trioxide with a mixture of gaseous ammonia and oxygen. Chemical composition, crystal structure, and stability of the obtained and hitherto unknown compounds are studied extensively. The average oxidation state of +5 for molybdenum is proven by Mo K near-edge X-ray absorption spectroscopy; the magnetic behavior is in agreement with compounds exhibiting (MoO6)-O-v units. The new materials are stable up to similar to 773 K in an inert gas atmosphere. At higher temperatures, decomposition is observed. X-ray and neutron powder diffraction, electron diffraction, and high-resolution transmission electron microscopy reveal the structure to be related to VNb9O24.9-type phases, however, with severe disorder hampering full structure determination. Still, the results demonstrate the possibility of a future synthesis of the potential binary oxide Mo2O5. On the basis of these findings, a tentative suggestion on the crystal structure of the potential compound Mo2O5, backed by electronic-structure and phonon calculations from first principles, is given.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000407405500026 Publication Date 2017-07-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 3 Open Access Not_Open_Access
Notes (up) ; Financial support from the Deutsche Forschungsgemeinschaft (SPP 1415, LE 781/ 11-1, DR 342/22-2) is gratefully acknowledged. The authors are grateful to J. Barthel, Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons Julich, Germany, for STEM image simulations. This work was further supported by Diamond Light Source (beamtime awards EE13560) within beamtime proposal SP13560. The Hamburg Synchrotron Radiation Laboratory, HASYLAB, and the FRM II, Garching, are acknowledged for providing beamtime. ; Approved Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:145727 Serial 4744
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Author Lutz, L.; Corte, D.A.D.; Chen, Y.; Batuk, D.; Johnson, L.R.; Abakumov, A.; Yate, L.; Azaceta, E.; Bruce, P.G.; Tarascon, J.-M.; Grimaud, A.
Title The role of the electrode surface in Na-Air batteries : insights in electrochemical product formation and chemical growth of NaO2 Type A1 Journal article
Year 2018 Publication Advanced energy materials Abbreviated Journal Adv Energy Mater
Volume 8 Issue 4 Pages 1701581
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The Na-air battery, because of its high energy density and low charging overpotential, is a promising candidate for low-cost energy storage, hence leading to intensive research. However, to achieve such a battery, the role of the positive electrode material in the discharge process must be understood. This issue is herein addressed by exploring the electrochemical reduction of oxygen, as well as the chemical formation and precipitation of NaO2 using different electrodes. Whereas a minor influence of the electrode surface is demonstrated on the electrochemical formation of NaO2, a strong dependence of the subsequent chemical precipitation of NaO2 is identified. In the origin, this effect stems from the surface energy and O-2/O-2(-) affinity of the electrode. The strong interaction of Au with O-2/O-2(-) increases the nucleation rate and leads to an altered growth process when compared to C surfaces. Consequently, thin (3 mu m) flakes of NaO2 are found on Au, whereas on C large cubes (10 mu m) of NaO2 are formed. This has significant impact on the cell performance and leads to four times higher capacity when C electrodes with low surface energy and O-2/O-2(-) affinity are used. It is hoped that these findings will enable the design of new positive electrode materials with optimized surfaces.
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Publisher WILEY-VCH Verlag GmbH & Co. Place of Publication Weinheim Editor
Language Wos 000424152200009 Publication Date 2017-09-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1614-6832; 1614-6840 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 16.721 Times cited 13 Open Access Not_Open_Access
Notes (up) ; L.L. thanks ALISTORE-ERI for his PhD grant. P.G.B. is indebted to the EPSRC for financial support, including the Supergen Energy Storage grant. ; Approved Most recent IF: 16.721
Call Number UA @ lucian @ c:irua:149269 Serial 4951
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Author Paulus, A.; Hendrickx, M.; Bercx, M.; Karakulina, O.M.; Kirsanova, M.A.; Lamoen, D.; Hadermann, J.; Abakumov, A.M.; Van Bael, M.K.; Hardy, A.
Title An in-depth study of Sn substitution in Li-rich/Mn-rich NMC as a cathode material for Li-ion batteries Type A1 Journal article
Year 2020 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal
Volume 49 Issue 30 Pages 10486-10497
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Layered Li-rich/Mn-rich NMC (LMR-NMC) is characterized by high initial specific capacities of more than 250 mA h g(-1), lower cost due to a lower Co content and higher thermal stability than LiCoO2. However, its commercialisation is currently still hampered by significant voltage fade, which is caused by irreversible transition metal ion migration to emptied Li positionsviatetrahedral interstices upon electrochemical cycling. This structural change is strongly correlated with anionic redox chemistry of the oxygen sublattice and has a detrimental effect on electrochemical performance. In a fully charged state, up to 4.8 Vvs.Li/Li+, Mn4+ is prone to migrate to the Li layer. The replacement of Mn4+ for an isovalent cation such as Sn4+ which does not tend to adopt tetrahedral coordination and shows a higher metal-oxygen bond strength is considered to be a viable strategy to stabilize the layered structure upon extended electrochemical cycling, hereby decreasing voltage fade. The influence of Sn4+ on the voltage fade in partially charged LMR-NMC is not yet reported in the literature, and therefore, we have investigated the structure and the corresponding electrochemical properties of LMR-NMC with different Sn concentrations. We determined the substitution limit of Sn4+ in Li1.2Ni0.13Co0.13Mn0.54-xSnxO2 by powder X-ray diffraction and transmission electron microscopy to be x approximate to 0.045. The limited solubility of Sn is subsequently confirmed by density functional theory calculations. Voltage fade for x= 0 andx= 0.027 has been comparatively assessed within the 3.00 V-4.55 V (vs.Li/Li+) potential window, from which it is concluded that replacing Mn4+ by Sn4+ cannot be considered as a viable strategy to inhibit voltage fade within this window, at least with the given restricted doping level.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000555330900018 Publication Date 2020-07-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0300-9246; 1477-9226; 1472-7773 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4 Times cited Open Access OpenAccess
Notes (up) ; The authors acknowledge Research Foundation Flanders (FWO) project number G040116N for funding. The authors are grateful to Dr Ken Elen and Greet Cuyvers (imo-imomec, UHasselt and imec) for respectively preliminary PXRD measurements and performing ICP-AES on the monometal precursors. Dr Dmitry Rupasov (Skolkovo Institute of Science and Technology) is acknowledged for performing TGA measurements on the metal sulfate precursors. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. ; Approved Most recent IF: 4; 2020 IF: 4.029
Call Number UA @ admin @ c:irua:171149 Serial 6450
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Author Pimenta, V.; Sathiya, M.; Batuk, D.; Abakumov, A.M.; Giaume, D.; Cassaignon, S.; Larcher, D.; Tarascon, J.-M.
Title Synthesis of Li-Rich NMC : a comprehensive study Type A1 Journal article
Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 29 Issue 23 Pages 9923-9936
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('Li-rich NMC are considered nowadays as one of the most promising candidates for high energy density cathodes. One significant challenge is nested in adjusting their synthesis conditions to reach optimum electrochemical performance, but no consensus has been reached yet on the ideal synthesis protocol. Herein, we revisited the elaboration of Li-rich NMC electrodes by focusing on the science involved through each synthesis steps using carbonate Ni0.1625Mn0.675Co0.1625CO3 precursor coprecipitation combined with solid state synthesis. We demonstrated the effect of precursors concentration on the kinetics of the precipitation reaction and provided clues to obtain spherically agglomerated NMC carbonates of different sizes. Moreover, we highlighted the strong impact of the Li2CO3/NMC carbonate ratio on the morphology and particles size of Li-rich NMC and subsequently on their electrochemical performance. Ratio of 1.35 was found to reproducibly give the best performance with namely a first discharge capacity of 269 mAh g(-1) and capacity retention of 89.6% after 100 cycles. We hope that our results, which reveal how particle size, morphology, and phase composition affect the materials electrochemical performance, will help in reconciling literature data while providing valuable fundamental information for up scaling approaches.'));
Address
Corporate Author Thesis
Publisher American Chemical Society Place of Publication Washington, D.C Editor
Language Wos 000418206600010 Publication Date 2017-11-08
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 23 Open Access Not_Open_Access
Notes (up) ; The authors acknowledge the French Research Network on Electrochemical Energy Storage (RS2E). V.P and J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. The authors are thankful to Dr. G. Rousse for the help on Rietveld refinements. ; Approved Most recent IF: 9.466
Call Number UA @ lucian @ c:irua:148530 Serial 4899
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Author Mikhailova, D.; Kuratieva, N.N.; Utsumi, Y.; Tsirlin, A.A.; Abakumov, A.M.; Schmidt, M.; Oswald, S.; Fuess, H.; Ehrenberg, H.
Title Composition-dependent charge transfer and phase separation in the V1-xRexO2 solid solution Type A1 Journal article
Year 2017 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal
Volume 46 Issue 5 Pages 1606-1617
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The substitution of vanadium in vanadium dioxide VO2 influences the critical temperatures of structural and metal-to-insulator transitions in different ways depending on the valence of the dopant. Rhenium adopts valence states between + 4 and + 7 in an octahedral oxygen surrounding and is particularly interesting in this context. Structural investigation of V1-xRexO2 solid solutions (0.01 <= x <= 0.30) between 80 and 1200 K using synchrotron X-ray powder diffraction revealed only two polymorphs that resemble VO2: the low-temperature monoclinic MoO2-type form (space group P2(1)/c), and the tetragonal rutile-like form (space group P4(2)/mnm). However, for compositions with 0.03 < x <= 0.15 a phase separation in the solid solution was observed below 1000 K upon cooling down from 1200 K, giving rise to two isostructural phases with slightly different lattice parameters. This is reflected in the appearance of two metal-toinsulator transition temperatures detected by magnetization and specific heat measurements. Comprehensive X-ray photoelectron spectroscopy studies showed that an increased amount of Re leads to a change in the Re valence state from solely Re6+ at a low doping level (<= 3 at% Re) via mixed-valence states Re4+/Re6+ for at least 0.03 < x <= 0.10, up to nearly pure Re4+ in V0.70Re0.30O2. Thus, compositions V1-xRexO2 with only one valence state of Re in the material (Re6+ or Re4+) can be obtained as a single phase, while intermediate compositions are subjected to a phase separation, presumably due to different valence states of Re.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000395442700030 Publication Date 2016-12-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0300-9246; 1477-9226; 1472-7773 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.029 Times cited 1 Open Access Not_Open_Access
Notes (up) ; The authors are indebted to Dr G. Auffermann (Max Planck Institute for Chemical Physics of Solids, Dresden, Germany) for performing the ICP-OES analyses. This research has received a partial funding from the BMBF, project grant number 03SF0477B (DESIREE). AT acknowledges financial support from Federal Ministry for Education and Research under Sofja Kovalevksaya Award of Alexander von Humboldt Foundation. AMA is grateful to the Russian Science Foundation (grant 14-13-00680) for financial support. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:142580 Serial 4642
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Author Kirsanova, M.A.; De Sloovere, D.; Karakulina, O.M.; Hadermann, J.; Van Bael, M.K.; Hardy, A.; Abakumov, A.M.
Title Toward unlocking the Mn3+/Mn2+ redox pair in alluaudite-type Na2+2zMn2-z(SO4)3-x(SeO4)x cathodes for sodium-ion batteries Type A1 Journal article
Year 2019 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 277 Issue 277 Pages 804-810
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In polyanion cathodes, the inductive effect alters the potential of a M(n+1)+/Mn+ redox couple (M – transition metal) according to the electronegativity of the X cation in the polyanion groups (XO4m+). To manipulate the operating potential, we synthesized a series of mixed sulfate-selenate alluaudites, with structure formulas Na2+2zMn2-z(SO4)(3-x)(SeO4)(x) and Na2.81Ni1.60(SO4)(1.43)(SeO4)(1.57). Their crystal structure was determined from powder X-ray diffraction data, revealing that the Mn-based alluaudites form solid solutions with the same crystal structure for x = 0.75; 1.125 and 1.5. Na2.81Ni1.60(SO4)(1.43)(SeO4)(1.57) is isostructural to the Mn-based alluaudites. Although the Na2+2zMn2-z(SO4)(3-x)(SeO4)(x) compound with the highest selenium content demonstrates a reversible discharge capacity of 60 mAh g(-1), only a small part of this electrochemical activity can be ascribed to the Mn3+/Mn2+ redox couple. The redox potential of the Mn3+/Mn2+ pair in Na2+2zMn2-z(SO4)(3-)x(SeO4)(x) decreases with increasing values of x, in agreement with the lower electronegativity of Se compared to that of S.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000481726300103 Publication Date 2019-07-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.299 Times cited Open Access
Notes (up) ; The authors thank the Russian Foundation for Basic Research for financial support (grant 17-03-00370), in addition to Research Foundation-Flanders (project No G040116). ; Approved Most recent IF: 2.299
Call Number UA @ admin @ c:irua:162852 Serial 5401
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Author Hadermann, J.; Abakumov, A.M.
Title Structure solution and refinement of metal-ion battery cathode materials using electron diffraction tomography Type A1 Journal article
Year 2019 Publication And Materials Abbreviated Journal
Volume 75 Issue 4 Pages 485-494
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The applicability of electron diffraction tomography to the structure solution and refinement of charged, discharged or cycled metal-ion battery positive electrode (cathode) materials is discussed in detail. As these materials are often only available in very small amounts as powders, the possibility of obtaining single-crystal data using electron diffraction tomography (EDT) provides unique access to crucial information complementary to X-ray diffraction, neutron diffraction and high-resolution transmission electron microscopy techniques. Using several examples, the ability of EDT to be used to detect lithium and refine its atomic position and occupancy, to solve the structure of materials ex situ at different states of charge and to obtain in situ data on structural changes occurring upon electrochemical cycling in liquid electrolyte is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000480512600002 Publication Date 2019-08-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes (up) ; The following funding is acknowledged: Fonds Wetenschappelijk Onderzoek (grant No. G040116N); Russian Foundation of Basic Research (grant No. 17-03-00370-a). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161846 Serial 5397
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Author Rozova, M.G.; Grigoriev, V.V.; Tyablikov, O.A.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.N.; Antipov, E.V.; Abakumov, A.M.
Title Doping of Bi4Fe5O13F with pentagonal Cairo lattice with Cr and Mn: Synthesis, structure and magnetic properties Type A1 Journal article
Year 2017 Publication Materials research bulletin Abbreviated Journal Mater Res Bull
Volume 87 Issue 87 Pages 54-60
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The substitution of Cr3+ and Mn3+ for Fe3+ in the Bi4Fe6O13F oxyfluoride featuring the magnetically frustrated pentagonal Cairo lattice is reported. Bi4Fe4.1Cr0.9O13F and BiFe4.2Mn0.8O13F have been prepared using a solid state reaction in inert atmosphere. Their crystal structures were studied with transmission electron microscopy, powder X-ray diffraction and Fe-57 Mossbauer spectroscopy (S.G. P4(2)/mbc, a = 8.27836(2)angstrom, c = 18.00330(9) angstrom, R-F = 0.031 (Bi4Fe4.1Cr0.9O13F)), a= 8.29535(3)angstrom, c= 18.0060(1)angstrom, R-F = 0.027 (Bi4Fe4.1Cr0.9O13F)). The structures are formed by infinite rutile-like chains of the edge sharing BO6 octahedra (B transition metal cations) linked by the Fe2O7 groups of two corner-sharing tetrahedra. The"voids in thus formed framework are occupied by the Bi4F tetrahedra. The Fe-57 Mossbauer spectroscopy reveals that Cr3+ and Mn3+ replace Fe3+. exclusively at the octahedral positions. The Mn- and Cr-doped compounds demonstrate antiferromagnetic ordering below T-N =165 K and 120 K, respectively. (C) 2016 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000392681800009 Publication Date 2016-11-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0025-5408 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.446 Times cited 1 Open Access Not_Open_Access
Notes (up) ; The work has been supported by the Russian Science Foundation (grant 14-13-00680). ; Approved Most recent IF: 2.446
Call Number UA @ lucian @ c:irua:141535 Serial 4498
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Author Batuk, D.; Batuk, M.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.N.; Tyablikov, O.A.; Hadermann, J.; Abakumov, A.M.
Title Crystal Structure, Defects, Magnetic and Dielectric Properties of the Layered Bi3n+1Ti7Fe3n-3,O9n+11 Perovskite-Anatase lntergrowths Type A1 Journal article
Year 2017 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 56 Issue 56 Pages 931-942
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The Bi3n+1Ti7Fe3n-3,O9n+11 materials are built of (001)(p) plane parallel perovskite blocks with a thickness of n (Ti,Fe)O-6 octahedra, separated by periodic translational interfaces. The interfaces are based on anatase-like chains of edge -sharing (Ti,Fe)O-6 octahedra. Together with the octahedra of the perovskite blocks, they create S-shaped tunnels stabilized by lone pair Bi3+ cations. In this work, the structure of the n = 4-6 Bi3n+1Ti7Fe3n-3,O9n+11 homologues is analyzed in detail using advanced transmission electron microscopy, powder X-ray diffraction, and Mossbauer spectroscopy. The connectivity of the anatase-like chains to the perovskite blocks results in,a 3ap periodicity along the interfaces, so that they can be located either on top of each other or with shifts of +/- a(p) along [100](p). The ordered arrangement of the interfaces gives rise to orthorhombic Immm and monoclinic A2/m polymorphs with the unit cell parameters a = 3a(p), b = b(p), c = 2(n + 1)c(p) and a = 3a(p), b = b(p), c = 2(n + 1)c(p) – a(p), respectively. While the n = 3 compound is orthorhombic, the monoclinic modification is more favorable in higher homologues. The Bi3n+1Ti7Fe3n-3,O9n+11 structures demonstrate intricate patterns of atomic displacements in the perovskite blocks, which are supported by the stereochemical activity of the Bi3+ cations. These patterns are coupled to the cationic coordination of the oxygen atoms in the (Ti,Fe)O-2 layers at the border of the perovskite blocks. The coupling is strong in the 1/ = 3, 4 homologues, but gradually reduces with the increasing thickness of the perovskite blocks, so that, in the n = 6 compound, the dominant mode of atomic displacements is aligned along the interface planes. The displacements in the adjacent perovskite blocks tend to order antiparallel, resulting in an overall antipolar structure. The Bi3n+1Ti7Fe3n-3,O9n+11 materials demonstrate an unusual diversity of structure defects. The n = 4-6 homologues are robust antiferromagnets below T-N = 135, 220, and 295 K, respectively. They show a high dielectric constant that weakly increases with temperature and is relatively insensitive to the Ti/Fe ratio.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000392262400029 Publication Date 2016-12-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 3 Open Access Not_Open_Access
Notes (up) ; The work was supported by the Russian Science Foundation (grant 14-13-00680). ; Approved Most recent IF: 4.857
Call Number UA @ lucian @ c:irua:141471 Serial 4495
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Author Voorhaar, L.; Diaz, M.M.; Leroux, F.; Rogers, S.; Abakumov, A.M.; Van Tendeloo, G.; Van Assche, G.; Van Mele, B.; Hoogenboom, R.
Title Supramolecular thermoplastics and thermoplastic elastomer materials with self-healing ability based on oligomeric charged triblock copolymers Type A1 Journal article
Year 2017 Publication NPG Asia materials Abbreviated Journal Npg Asia Mater
Volume 9 Issue Pages e385
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Supramolecular polymeric materials constitute a unique class of materials held together by non-covalent interactions. These dynamic supramolecular interactions can provide unique properties such as a strong decrease in viscosity upon relatively mild heating, as well as self-healing ability. In this study we demonstrate the unique mechanical properties of phase-separated electrostatic supramolecular materials based on mixing of low molar mass, oligomeric, ABA-triblock copolyacrylates with oppositely charged outer blocks. In case of well-chosen mixtures and block lengths, the charged blocks are phase separated from the uncharged matrix in a hexagonally packed nanomorphology as observed by transmission electron microscopy. Thermal and mechanical analysis of the material shows that the charged sections have a T-g closely beyond room temperature, whereas the material shows an elastic response at temperatures far above this T-g ascribed to the electrostatic supramolecular interactions. A broad set of materials having systematic variations in triblock copolymer structures was used to provide insights in the mechanical properties and and self-healing ability in correlation with the nanomorphology of the materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000402065300005 Publication Date 2017-05-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1884-4049; 1884-4057 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.157 Times cited 8 Open Access OpenAccess
Notes (up) ; This research was conducted in the framework of the SIM-SHE/NAPROM project and SIM is gratefully acknowledged for the financial support. ; Approved Most recent IF: 9.157
Call Number UA @ lucian @ c:irua:144263 Serial 4691
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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
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 (up) ; 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 Fedotov, S.S.; Aksyonov, D.A.; Samarin, A.S.; Karakulina, O.M.; Hadermann, J.; Stevenson, K.J.; Khasanova, N.R.; Abakumov, A.M.; Antipov, E., V
Title Tuning the crystal structure of A2CoPO4F(A=Li,Na) fluoride-phosphates : a new layered polymorph of LiNaCoPO4F Type A1 Journal article
Year 2019 Publication European journal of inorganic chemistry Abbreviated Journal Eur J Inorg Chem
Volume 2019 Issue 2019 Pages 4365-4372
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Co-containing fluoride-phosphates are of interest in sense of delivering high electrode potentials and attractive specific energy values as positive electrode materials for rechargeable batteries. In this paper we report on a new Co-based fluoride-phosphate, LiNaCoPO4F, with a layered structure (2D), which was Rietveld-refined based on X-ray powder diffraction data [P2(1)/c, a = 6.83881(4) angstrom, b = 11.23323(5) angstrom, c = 5.07654(2) angstrom, beta = 90.3517(5) degrees, V = 389.982(3) angstrom(3)] and validated by electron diffraction and high-resolution scanning transmission electron microscopy. The differential scanning calorimetry measurements revealed that 2D-LiNaCoPO4F forms in a narrow temperature range of 520-530 degrees C and irreversibly converts to the known 3D-LiNaCoPO4F modification (Pnma) above 530 degrees C. The non-carbon-coated 2D-LiNaCoPO4F shows reversible electrochemical activity in Li-ion cell in the potential range of 3.0-4.9 V vs. Li/Li+ with an average potential of approximate to 4.5 V and in Na-ion cell in the range of 3.0-4.5 V vs. Na/Na+ exhibiting a plateau profile centered around 4.2 V, in agreement with the calculated potentials by density functional theory. The energy barriers for both Li+ and Na+ migration in 2D-LiNaCoPO4F amount to 0.15 eV along the [001] direction rendering 2D-LiNaCoPO4F as a viable electrode material for high-power Li- and Na-ion rechargeable batteries. The discovery and stabilization of the 2D-LiNaCoPO4F polymorph indicates that temperature influence on the synthesis of A(2)MPO(4)F fluoride-phosphates needs more careful examination with perspective to unveil new structures.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000484135500001 Publication Date 2019-08-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited Open Access
Notes (up) ; This work is supported by the Russian Science Foundation (grant 17-73-30006). The authors greatly thank Dr. D. Rupasov for TG-DSC experiments, B. D. Shmykov and A. I. Manoilov for assistance with sample preparation, the Skoltech Center for Energy Science and Technology and the Moscow State University Program of Development up to 2020. J. Hadermann and O. M. Karakulina acknowledge support from the FWO under grant G040116N. ; Approved Most recent IF: 2.444
Call Number UA @ admin @ c:irua:162857 Serial 5403
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Author Chizhov, A.; Vasiliev, R.; Rumyantseva, M.; Krylov, I.; Drozdov, K.; Batuk, M.; Hadermann, J.; Abakumov, A.; Gaskov, A.
Title Light-activated sub-ppm NO2 detection by hybrid ZnO/QD nanomaterials vs. charge localization in core-shell QD Type A1 Journal article
Year 2019 Publication Frontiers in materials Abbreviated Journal
Volume 6 Issue 6 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract New hybrid materials-photosensitized nanocomposites containing nanocrystal heterostructures with spatial charge separation, show high response for practically important sub-ppm level NO2 detection at room temperature. Nanocomposites ZnO/CdSe, ZnO/(CdS@CdSe), and ZnO/(ZnSe@CdS) were obtained by the immobilization of nanocrystals-colloidal quantum dots (QDs), on the matrix of nanocrystalline ZnO. The formation of crystalline core-shell structure of QDs was confirmed by HAADF-STEM coupled with EELS mapping. Optical properties of photosensitizers have been investigated by optical absorption and luminescence spectroscopy combined with spectral dependences of photoconductivity, which proved different charge localization regimes. Photoelectrical and gas sensor properties of nanocomposites have been studied at room temperature under green light (max = 535 nm) illumination in the presence of 0.12-2 ppm NO2 in air. It has been demonstrated that sensitization with type II heterostructure ZnSe@CdS with staggered gap provides the rapid growth of effective photoresponse with the increase in the NO2 concentration in air and the highest sensor sensitivity toward NO2. We believe that the use of core-shell QDs with spatial charge separation opens new possibilities in the development of light-activated gas sensors working without thermal heating.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000487641600002 Publication Date 2019-09-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2296-8016 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes (up) ; This work was financially supported by RFBR grant No. 1653-76001 (RFBR – ERA.Net FONSENS 096) and in part by a grant from the St. Petersburg State University – Event 3-2018 (id: 26520408). AC acknowledges support from the RFBR grant No. 18-33-01004. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:163776 Serial 5390
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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.
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Corporate Author Thesis
Publisher Place of Publication Editor
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 (up) ; 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 Tytgat, T.; Hauchecorne, B.; Abakumov, A.M.; Smits, M.; Verbruggen, S.W.; Lenaerts, S.
Title Photocatalytic process optimisation for ethylene oxidation Type A1 Journal article
Year 2012 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
Volume 209 Issue Pages 494-500
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Abstract When studying photocatalysis it is important to consider, beside the chemical approach, the engineering part related to process optimisation. To achieve this a fixed bed photocatalytic set-up consisting of different catalyst placings, in order to vary catalyst distribution, is studied. The use of a fixed quantity of catalyst placed packed or randomly distributed in the reactor, results in an almost double degradation for the distributed catalyst. Applying this knowledge leads to an improved performance with limited use of catalyst. A reactor only half filled with catalyst leads to higher degradation performance compared to a completely filled reactor. Taking into account this simple process optimisation by better distributing the catalyst a more sustainable photocatalytic air purification process is achieved. (C) 2012 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000311190500058 Publication Date 2012-08-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.216 Times cited 12 Open Access
Notes (up) ; We are grateful for the delivered photocatalyst by Evonik as well as for the PhD grant (T. Tytgat) given by the Institute of Innovation by Science and Technology in Flanders (IWT). ; Approved Most recent IF: 6.216; 2012 IF: 3.473
Call Number UA @ lucian @ c:irua:105185 Serial 2609
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