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Records |
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Author |
Hadermann, J.; Abakumov, A.M.; Turner, S.; Hafideddine, Z.; Khasanova, N.R.; Antipov, E.V.; Van Tendeloo, G. |
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Title |
Solving the structure of Li ion battery materials with precession electron diffraction : application to Li2CoPo4F |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication  |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
23 |
Issue |
15 |
Pages |
3540-3545 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The crystal structure of the Li2CoPO4F high-voltage cathode for Li ion rechargeable batteries has been completely solved from precession electron diffraction (PED) data, including the location of the Li atoms. The crystal structure consists of infinite chains of CoO4F2 octahedra sharing common edges and linked into a 3D framework by PO4 tetrahedra. The chains and phosphate anions together delimit tunnels filled with the Li atoms. This investigation demonstrates that PED can be successfully applied for obtaining structural information on a variety of Li-containing electrode materials even from single micrometer-sized crystallites. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000293357100019 |
Publication Date |
2011-07-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
46 |
Open Access |
|
| |
Notes |
Fwo; Bof |
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
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Call Number |
UA @ lucian @ c:irua:90357 |
Serial |
3053 |
| Permanent link to this record |
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Author |
Rusakov, D.; Abakumov, A.M.; Yamaura, K.; Belik, A.A.; Van Tendeloo, G.; Takayama-Muromachi, E. |
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Title |
Structural evolution of the BiFeO3-LaFeO3 system |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
23 |
Issue |
2 |
Pages |
285-292 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The (1 − x)BiFeO3−xLaFeO3 system has been investigated and characterized by room-temperature and high-temperature laboratory and synchrotron powder X-ray diffraction, electron diffraction, high-resolution transmission electron microscopy, differential scanning calorimetry, and magnetization measurements. At room temperature, the ferroelectric R3c phase is observed for 0.0 ≤ x ≤ 0.10. The PbZrO3-related √2ap × 2√2ap × 4ap superstructure (where ap is the parameter of the cubic perovskite subcell) is observed for Bi0.82La0.18FeO3, while an incommensurately modulated phase is formed for 0.19 ≤ x ≤ 0.30 with the √2ap × 2ap × √2ap basic unit cell. The GdFeO3-type phase with space group Pnma (√2ap × 2ap × √2ap) is stable at 0.50 ≤ x ≤ 1. Bi0.82La0.18FeO3 has no detectable homogeneity range (space group Pnam, a = 5.6004(1) Å, b = 11.2493(3) Å, c = 15.6179(3) Å). The incommensurately modulated Bi0.75La0.25FeO3 structure was solved from synchrotron X-ray powder diffraction data (Imma(00γ)s00 superspace group, a = 5.5956(1) Å, b = 7.8171(1) Å, c = 5.62055(8) Å, q = 0.4855(4)c*, RP = 0.023, RwP = 0.033). In this structure, cooperative displacements of the Bi and O atoms occur, which order within the (AO) (where A = Bi, La) layers, resulting in an antipolar structure. Local fluctuations of the intralayer antipolar ordering are compensated by an interaction with the neighboring (AO) layers. A coupling of the antipolar displacements with the cooperative tilting distortion of the perovskite octahedral framework is proposed as the origin of the incommensurability. All the phases transform to the GdFeO3-type structure at high temperatures. Bi0.82La0.18FeO3 shows an intermediate PbZrO3-type phase with √2ap × 2√2ap × 2ap (space group Pbam; a = 5.6154(2) Å, b = 11.2710(4) Å, and c = 7.8248(2) Å at 570 K). The compounds in the compositional range of 0.18 ≤ x ≤ 0.95 are canted antiferromagnets. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000286160800021 |
Publication Date |
2010-12-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
133 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
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Call Number |
UA @ lucian @ c:irua:88650 |
Serial |
3236 |
| Permanent link to this record |
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Author |
Abakumov, A.M.; Rossell, M.D.; Gutnikova, O.Y.; Drozhzhin, O.A.; Leonova, L.S.; Dobrovolsky, Y.A.; Istomin, S.Y.; Van Tendeloo, G.; Antipov, E.V. |
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Title |
Superspace description, crystal structures, and electric conductiof the Ba4In6-xMgxO13-x/2 solid solutions |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
20 |
Issue |
13 |
Pages |
4457-4467 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000257279200041 |
Publication Date |
2008-06-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0897-4756;1520-5002; |
ISBN |
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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; 2008 IF: 5.046 |
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Call Number |
UA @ lucian @ c:irua:70141 |
Serial |
3383 |
| Permanent link to this record |
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Author |
Abakumov, A.M.; Rozova, M.G.; Antipov, E.V.; Hadermann, J.; Van Tendeloo, G.; Lobanov, M.V.; Greenblatt, M.; Croft, M.; Tsiper, E.V.; Llobet, A.; Lokshin, K.A.; Zhao, Y. |
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Title |
Synthesis, cation ordering, and magnetic properties of the (Sb1-xPbx)2(Mn1-ySby)O4 solid solutions with the Sb2MnO4-type structure |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
17 |
Issue |
|
Pages |
1123-1134 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000227421300029 |
Publication Date |
2005-03-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.466 |
Times cited |
16 |
Open Access |
|
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Notes |
Iap V-1 |
Approved |
Most recent IF: 9.466; 2005 IF: 4.818 |
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Call Number |
UA @ lucian @ c:irua:51440 |
Serial |
3446 |
| Permanent link to this record |
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Author |
Mandal, T.K.; Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Croft, M.; Greenblatt, M. |
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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 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000251422000019 |
Publication Date |
2007-11-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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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 |
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Call Number |
UA @ lucian @ c:irua:67597 |
Serial |
3449 |
| Permanent link to this record |
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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. |
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Title |
Tetrahedral chain order in the Sr2Fe2O5 brownmillerite |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
20 |
Issue |
22 |
Pages |
7188-7194 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000261002200039 |
Publication Date |
2008-10-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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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 |
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Call Number |
UA @ lucian @ c:irua:72945 |
Serial |
3511 |
| Permanent link to this record |
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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. |
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Title |
KEu(MoO4)2 : polymorphism, structures, and luminescent properties |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
27 |
Issue |
27 |
Pages |
5519-5530 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000360323700011 |
Publication Date |
2015-07-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
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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 |
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Call Number |
c:irua:127244 |
Serial |
3537 |
| Permanent link to this record |
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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. |
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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 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000353865800043 |
Publication Date |
2015-03-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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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 |
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Call Number |
c:irua:126061 |
Serial |
3541 |
| Permanent link to this record |
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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. |
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Title |
Sn2-2xSbxFexO4 solid solutions as possible inert anode materials in aluminum electrolysis |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
17 |
Issue |
11 |
Pages |
3004-3011 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000229656000030 |
Publication Date |
2005-05-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 |
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Call Number |
UA @ lucian @ c:irua:59053 |
Serial |
3554 |
| Permanent link to this record |
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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. |
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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 |
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Volume |
19 |
Issue |
5 |
Pages |
1181-1189 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000244467800035 |
Publication Date |
2007-02-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0897-4756;1520-5002; |
ISBN |
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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 |
| Permanent link to this record |
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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. |
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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 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000295487800005 |
Publication Date |
2011-09-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
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 |
| Permanent link to this record |
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Author |
Fedotov, S.S.; Khasanova, N.R.; Samarin, A.S.; Drozhzhin, O.A.; Batuk, D.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V. |
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Title |
AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
28 |
Issue |
28 |
Pages |
411-415 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
A novel potassium-based fluoride-phosphate, KVPO4F, with a KTiOPO4 (KTP) type structure is synthesized and characterized. About 85% of potassium has been electrochemically extracted on oxidation producing a cathode material with attractive performance for Li-ion batteries. The material operates at the electrode potential near 4V vs Li/Li+ exhibiting a sloping voltage profile, extremely low polarization, small volume change of about 2% and excellent rate capability, maintaining more than 75% of the initial capacity at 40C discharge rate without significant fading. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000368949900002 |
Publication Date |
2016-01-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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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 |
46 |
Open Access |
|
| |
Notes |
The authors kindly thank Dr. S. N. Putilin for XRD measurements, Dr. O. A. Shlyakhtin for the assistance in cryochemical synthesis, Ph.D. students A. A. Sadovnikov and E. A. Karpukhina for SEM imaging and FTIR spectra respectively. The work was partly supported by Russian Science Foundation (grant 16-19-00190), Skoltech Center for Electrochemical Energy Storage and Moscow State University Devel-opment Program up to 2020. J. Hadermann, O.M. Karakulina and A.M. Abakumov acknowledge support from FWO under grant G040116N. |
Approved |
Most recent IF: 9.466 |
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Call Number |
c:irua:131583 |
Serial |
4001 |
| Permanent link to this record |
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Author |
Perez, A.J.; Batuk, D.; Saubanère, M.; Rousse, G.; Foix, D.; Mc Calla, E.; J. Berg, E.; Dugas, R.; van den Bos, K. H. W.; Doublet, M.-L.; Gonbeau, D.; Abakumov, A.M.; Van Tendeloo, G.; Tarascon, J.-M. |
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Title |
Strong oxygen participation in the redox governing the structural and electrochemical properties of Na-rich layered oxide Na2IrO3 |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
28 |
Issue |
28 |
Pages |
8278-8288 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The recent revival of the Na-ion battery concept has prompted intense activities in the search for new Na-based layered oxide positive electrodes. The largest capacity to date was obtained for a Na-deficient layered oxide that relies on cationic redox processes only. To go beyond this limit, we decided to chemically manipulate these Na-based layered compounds in a way to trigger the participation of the anionic network. We herein report the electrochemical properties of a Na-rich phase Na2IrO3, which can reversibly cycle 1.5 Na+ per formula unit while not suffering from oxygen release nor cationic migrations. Such large capacities, as deduced by complementary XPS, X-ray/neutron diffraction and transmission electron microscopy measurements, arise from cumulative cationic and anionic redox processes occurring simultaneously at potentials as low as 3.0 V. The inability to remove more than 1.5 Na+ is rooted in the formation of an O1-type phase having highly stabilized Na sites as confirmed by DFT calculations, which could rationalize as well the competing metal/oxygen redox processes in Na2IrO3. This work will help to define the most fertile directions in the search for novel high energy Na-rich materials based on more sustainable elements than Ir. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000388914500021 |
Publication Date |
2016-10-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
| |
ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
45 |
Open Access |
|
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Notes |
The authors thank Montse Casas-Cabanas and Marine Reynaud for discussions about the FAULTS program, Sandra Van Aert for her great help in guiding us towards the use of the statistical parameter estimation method for establishing the O-O histogram, and Thomas Hansen and Vladimir Pomjakushin for their precious help in neutron diffraction experiments. This work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland, and at Institut Laue Langevin, Grenoble, France. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the U.S. department of Energy under contract No. DE-AC02-06CH11357 and is greatly acknowledged. |
Approved |
Most recent IF: 9.466 |
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Call Number |
EMAT @ emat @ c:irua:135994 |
Serial |
4287 |
| Permanent link to this record |
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Author |
Karakulina, O.M.; Khasanova, N.R.; Drozhzhin, O.A.; Tsirlin, A.A.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M. |
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Title |
Antisite Disorder and Bond Valence Compensation in Li2FePO4F Cathode for Li-Ion Batteries |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Chemistry Of Materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
28 |
Issue |
28 |
Pages |
7578-7581 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000387518500004 |
Publication Date |
2016-11-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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ISSN |
0897-4756 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.466 |
Times cited |
10 |
Open Access |
|
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Notes |
Russian Science Foundation, 16-19-00190 ; Fonds Wetenschappelijk Onderzoek, G040116N ; |
Approved |
Most recent IF: 9.466 |
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Call Number |
EMAT @ emat @ c:irua:139170 c:irua:138599 |
Serial |
4320 |
| Permanent link to this record |
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Author |
Morozov, V.A.; Batuk, D.; Batuk, M.; Basovich, O.M.; Khaikina, E.G.; Deyneko, D.V.; Lazoryak, B.I.; Leonidov, I.I.; Abakumov, A.M.; Hadermann, J. |
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Title |
Luminescence Property Upgrading via the Structure and Cation Changing in AgxEu(2–x)/3WO4and AgxGd(2–x)/3–0.3Eu0.3WO4 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
29 |
Issue |
20 |
Pages |
8811-8823 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescence properties. AgxEu3+(2−x)/3□(1−2x)/3WO4 and AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4 (x = 0.5−0) scheelite-type phases were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder synchrotron X-ray diffraction. Transmission electron microscopy also revealed the (3 + 1)D incommensurately modulated character of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.286, 0.2) phases. The crystal structures of the scheelite-based AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286, 0.2) red phosphors have been refined from high resolution synchrotron powder X-ray diffraction data. The luminescence properties of all phases under near-ultraviolet (n-UV) light have been investigated. The excitation spectra of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286,0.2) phosphors show the strongest absorption at 395 nm, which matches well with the commercially available n-UV-emitting GaN-based LED chip. The excitation spectra of the Eu2/3□1/3WO4 and Gd0.367Eu0.30□1/3WO4 phases exhibit the highest contribution of the charge transfer band at 250 nm and thus the most efficient energy transfer mechanism between the host and the luminescent ion as compared to direct excitation. The emission spectra of all samples indicate an intense red emission due to the 5D0 → 7F2 transition of Eu3+. Concentration dependence of the 5D0 → 7F2 emission for AgxEu(2−x)/3□(1−2x)/3WO4 samples differs from the same dependence for the earlier studied NaxEu3+(2−x)/3□(1−2x)/3MoO4 (0 ≤ x ≤ 0.5) phases. The intensity of the 5D0 → 7F2 emission is reduced almost 7 times with decreasing x from 0.5 to 0, but it practically does not change in the range from x = 0.286 to x = 0.200. The emission spectra of Gd-containing samples show a completely different trend as compared to only Eu-containing samples. The Eu3+ emission under excitation of Eu3+(5L6) level (λex = 395 nm) increases more than 2.5 times with the increasing Gd3+ concentration from 0.2 (x = 0.5) to 0.3 (x = 0.2) in the AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4, after which it remains almost constant for higher Gd3+ concentrations. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000413884900028 |
Publication Date |
2017-10-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 |
Not_Open_Access |
| |
Notes |
This research was supported by FWO (project G039211N), Flanders Research Foundation. V.A.M. is grateful for financial support of the Russian Foundation for Basic Research (Grant 15-03-07741). E.G.K. and O.M.B. are grateful for financial support of the Russian Foundation for Basic Research (Grants 13-03-01020 and 16-03-00510). D.V.D. is grateful for financial support of the Russian Foundation for Basic Research (Grant 16-33-00197) and the Foundation of the President of the Russian Federation (Grant MK-7926.2016.5.). We are grateful to the ESRF for granting the beamtime. Experimental support of Andy Fitch at the ID31 beamline of ESRF is kindly acknowledged. |
Approved |
Most recent IF: 9.466 |
| |
Call Number |
EMAT @ emat @c:irua:147241 |
Serial |
4768 |
| Permanent link to this record |
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Author |
Pimenta, V.; Sathiya, M.; Batuk, D.; Abakumov, A.M.; Giaume, D.; Cassaignon, S.; Larcher, D.; Tarascon, J.-M. |
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Title |
Synthesis of Li-Rich NMC : a comprehensive study |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
29 |
Issue |
23 |
Pages |
9923-9936 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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.')); |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
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Language |
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Wos |
000418206600010 |
Publication Date |
2017-11-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
9.466 |
Times cited |
23 |
Open Access |
Not_Open_Access |
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Notes |
; 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 |
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Call Number |
UA @ lucian @ c:irua:148530 |
Serial |
4899 |
| Permanent link to this record |
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Author |
Pearce, P.E.; Rousse, G.; Karakulina, O.M.; Hadermann, J.; Van Tendeloo, G.; Foix, D.; Fauth, F.; Abakumov, A.M.; Tarascon, J.-M. |
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Title |
β-Na1.7IrO3: A Tridimensional Na-Ion Insertion Material with a Redox Active Oxygen Network |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
30 |
Issue |
10 |
Pages |
3285-3293 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The revival of the Na-ion battery concept has prompted an intense search for new high capacity Na-based positive electrodes. Recently, emphasis has been placed on manipulating Na-based layered compounds to trigger the participation of the anionic network. We further explored this direction and show the feasibility of achieving anionic-redox activity in three-dimensional Na-based compounds. A new 3D β-Na1.7IrO3 phase was synthesized in a two-step process, which involves first the electrochemical removal of Li from β-Li2IrO3 to produce β-IrO3, which is subsequently reduced by electrochemical Na insertion. We show that β-Na1.7IrO3 can reversibly uptake nearly 1.3 Na+ per formula unit through an uneven voltage profile characterized by the presence of four plateaus related to structural transitions. Surprisingly, the β-Na1.7IrO3 phase was found to be stable up to 600 °C, while it could not be directly synthesized via conventional synthetic methods. Although these Na-based iridate phases are of limited practical interest, they help to understand how introducing highly polarizable guest ions (Na+) into host rocksalt-derived oxide structures affects the anionic redox mechanism. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000433403800014 |
Publication Date |
2018-05-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
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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 |
The authors thank A. Perez for fruitful discussions and his valuable help in synchrotron XRD experiment and Matthieu Courty for carrying out the DSC measurements. The authors also greatly thank Matthieu Saubanère and Marie-Liesse Doublet for valuable discussions on theoretical aspects of this work. This work is based on experiments performed on the Materials Science and Powder Diffraction Beamline at ALBA synchrotron (Proposal 2016091814), Cerdanyola del Vallès, E- 08290 Barcelona, Spain. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116-ARPEMA. G.R. acknowledges funding from ANR DeliRedox. O.M.K., J.H., and A.M.A. are grateful to FWO Vlaanderen for financial support under Grant G040116N. |
Approved |
Most recent IF: 9.466 |
| |
Call Number |
EMAT @ emat @c:irua:152048 |
Serial |
4996 |
| Permanent link to this record |
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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. |
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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 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Chemical Society |
Place of Publication |
Washington, D.C |
Editor |
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Language |
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Wos |
000435416600038 |
Publication Date |
2018-05-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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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 |
| Permanent link to this record |
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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. |
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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 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000453489300014 |
Publication Date |
2018-11-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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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 |
| Permanent link to this record |
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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. |
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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 |
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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 |
|
Approved |
Most recent IF: 8.6; 2023 IF: 9.466 |
| |
Call Number |
UA @ admin @ c:irua:197352 |
Serial |
9013 |
| Permanent link to this record |
| |
|
| |
|
Author |
Rossell, M.D.; Abakumov, A.M.; Van Tendeloo, G.; Pardo, J.A.; Santiso, J. |
| |
Title |
Structure and microstructure of epitaxial Sr4Fe6O13-\delta films on SrTiO3 |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Chemistry and materials |
Abbreviated Journal |
Chem Mater |
| |
Volume |
16 |
Issue |
|
Pages |
2578-2584 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The crystal structure and the microstructure of epitaxial Sr4Fe6O13+/-delta thin films grown on a single-crystal SrTiO3 substrate by PLD have been investigated. A combination of electron diffraction and high-resolution microscopy allows us to refine the structure and to identify an incommensurate modulation in the Sr4Fe6O13+/-delta films. The incommensurate structure (q = alphaa(m)* approximate to 0.39alpha(m)*, superspace group Xmmm(alpha00)0s0) can be interpreted as an oxygen-deficient modification in the Fe2O2.5 double layers. Moreover, it is shown that the experimentally determined a component of the modulation can be used consistently to estimate the local oxygen content in the Sr4Fe6O13+/-delta films. The compound composition can therefore be described as Sr4Fe6O12+2alpha and the value alpha = 0.39 corresponds to a Sr4Fe6O12.78 composition. The misfit stress along the Sr4Fe6O13+/-delta/SrTiO3 interface is accommodated via both elastic deformation and inelastic mechanisms (misfit dislocations and 90degrees rotation twins). The present results also suggest the existence of SrFeO3 perovskite in the Sr4Fe6O13+/-delta films. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| |
Language |
|
Wos |
000222252300011 |
Publication Date |
2004-06-22 |
| |
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 |
26 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 9.466; 2004 IF: 4.103 |
| |
Call Number |
UA @ lucian @ c:irua:54770 |
Serial |
3286 |
| Permanent link to this record |
| |
|
| |
|
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 |
|
| |
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 |
| Permanent link to this record |
| |
|
| |
|
Author |
Lieberman, C.M.; Filatov, A.S.; Wei, Z.; Rogachev, A.Y.; Abakumov, A.M.; Dikarev, E.V. |
| |
Title |
Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
| |
Volume |
6 |
Issue |
6 |
Pages |
2835-2842 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
A novel series of mixed-valent, heteroleptic transition metal diketonates that can be utilized as prospective single-source precursors for the low-temperature preparation of oxide materials are reported. The first mixed-valent iron beta-diketonates with different Fe-III/Fe-II ratios have been synthesized by applying the mixed-ligand approach. Based on nearly quantitative reaction yields and analysis of iron-oxygen bonds, these compounds were formulated as [Fe-III(acac)(3)][Fe-II(hfac)(2)] (1) and [Fe-II(hfac)(2)][Fe-III(acac)(3)][Fe-II(hfac)(2)] (2). In the above heteroleptic complexes, the Lewis acidic, coordinatively unsaturated Fe-II centers chelated by two hfac (hexafluoroacetylacetonate) ligands with electron-withdrawing substituents maintain bridging interactions with oxygen atoms of electron-donating acac (acetylacetonate) groups that chelate the neighboring Fe-III atoms. Switching the ligands on Fe-III and Fe-II atoms in starting reagents resulted in the instant ligand exchange between iron centers and in yet another polynuclear homometallic diketonate [Fe-II(hfac)(2)][Fe-III(acac)(2)(hfac)][Fe-II(hfac)(2)] (3) that adheres to the same bonding pattern as in complexes 1 and 2. The proposed synthetic methodology has been extended to design heterometallic diketonates with different M : M' ratios. Homometallic parent molecules have been used as templates to obtain heterometallic mixed-valent [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Ni-II(hfac)(2)] – [Fe-III(acac)(3)][Ni-II(hfac)(2)] (5) complexes. The combination of two different diketonate ligands with electron-donating and electron-withdrawing substituents was found to be crucial for maintaining the above mixed-valent heterometallic assemblies. Theoretical investigation of two possible “isomers”, [Fe-III(acac)(3)][Mn-II(hfac)(2)] (4) and [Mn-III(acac)(3)][Fe-II(hfac)(2)] (40) provided an additional support for the metal site assignment giving a preference of 9.78 kcal mol(-1) for the molecule 4. Heterometallic complexes obtained in the course of this study have been found to act as effective single-source precursors for the synthesis of mixed-transition metal oxide materials MxM2-xO3 and MxMi-xO. The title highly volatile precursors can be used for the low-temperature preparation of both amorphous and crystalline heterometallic oxides in the form of thin films or nanosized particles that are known to operate as efficient catalysts in oxygen evolution reaction. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
|
| |
Language |
|
Wos |
000353223100021 |
Publication Date |
2015-02-25 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2041-6520;2041-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
8.668 |
Times cited |
13 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 8.668; 2015 IF: 9.211 |
| |
Call Number |
c:irua:126031 |
Serial |
2092 |
| Permanent link to this record |
| |
|
| |
|
Author |
Yang, T.; Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Nowik, I.; Stephens, P.W.; Hamberger, J.; Tsirlin, A.A.; Ramanujachary, K.V.; Lofland, S.; Croft, M.; Ignatov, A.; Sun, J.; Greenblatt, M. |
| |
Title |
_BiMnFe2O6, a polysynthetically twinned hcp MO structure |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Chemical science |
Abbreviated Journal |
Chem Sci |
| |
Volume |
1 |
Issue |
6 |
Pages |
751-762 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The most efficient use of spatial volume and the lowest potential energies in the metal oxide structures are based on cubic close packing (ccp) or hexagonal close packing (hcp) of anions with cations occupying the interstices. A promising way to tune the composition of close packed oxides and design new compounds is related to fragmenting the parent structure into modules by periodically spaced planar interfaces, such as twin planes at the unit cell scale. The unique crystal chemistry properties of cations with a lone electron pair, such as Bi3+ or Pb2+, when located at interfaces, enables them to act as chemical scissors, to help relieve configurational strain. With this approach, we synthesized a new oxide, BiMnFe2O6, where fragments of the hypothetical hcp oxygen-based MO structure (the NiAs structure type), for the first time, serve as the building modules in a complex transition metal oxide. Mn3+ and Fe3+ ions are randomly distributed in two crystallographically independent sites (M1 and M2). The structure consists of quasi two-dimensional blocks of the 2H hexagonal close packed MO structure cut along the (114) crystal plane of the hcp lattice and stacked along the c axis. The blocks are related by a mirror operation that allows BiMnFe2O6 to be considered as a polysynthetically twinned 2H hcp MO structure. The transition to an AFM state with an incommensurate spin configuration at [similar] 212 K is established by 57Fe Mössbauer spectroscopy, magnetic susceptibility, specific heat and low temperature powder neutron diffraction. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
|
| |
Language |
|
Wos |
000283939200013 |
Publication Date |
2010-10-12 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2041-6520;2041-6539; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
8.668 |
Times cited |
12 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 8.668; 2010 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:85823 |
Serial |
3517 |
| Permanent link to this record |
| |
|
| |
|
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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Address |
|
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
| |
Language |
|
Wos |
000311190500058 |
Publication Date |
2012-08-22 |
| |
Series Editor |
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Series Title |
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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 |
; 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 |
| Permanent link to this record |
| |
|
| |
|
Author |
Ryabova, A.S.; Bonnefont, A.; Zagrebin, P.; Poux, T.; Sena, R.P.; Hadermann, J.; Abakumov, A.M.; Kerangueven, G.; Istomin, S.Y.; Antipov, E.V.; Tsirlina, G.A.; Savinova, E.R. |
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Title |
Study of hydrogen peroxide reactions on manganese oxides as a tool to decode the oxygen reduction reaction mechanism |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
ChemElectroChem |
Abbreviated Journal |
Chemelectrochem |
| |
Volume |
3 |
Issue |
3 |
Pages |
1667-1677 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Hydrogen peroxide has been detected as a reaction intermediate in the electrochemical oxygen reduction reaction (ORR) on transition-metal oxides and other electrode materials. In this work, we studied the electrocatalytic and catalytic reactions of hydrogen peroxide on a set of Mn oxides, Mn2O3, MnOOH, LaMnO3, MnO2, and Mn3O4, that adopt different crystal structures to shed light on the mechanism of the ORR on these materials. We then combined experiment with kinetic modeling with the objective to correlate the differences in the ORR activity to the kinetics of the elementary reaction steps, and we uncovered the importance of structural and compositional factors in the catalytic activity of the Mn oxides. We concluded that the exceptional activity of Mn2O3 in the ORR is due to its high catalytic activity both in the reduction of oxygen to hydrogen peroxide and in the decomposition of the latter, and furthermore, we proposed a tentative link between crystal structure and reactivity. |
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Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
Wiley |
Place of Publication |
Place of publication unknown |
Editor |
|
| |
Language |
|
Wos |
000388377200019 |
Publication Date |
2016-07-14 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2196-0216 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
4.136 |
Times cited |
20 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 4.136 |
| |
Call Number |
UA @ lucian @ c:irua:139202 |
Serial |
4449 |
| Permanent link to this record |
| |
|
| |
|
Author |
Semkina, A.S.; Abakumov, M.A.; Abakumov, A.M.; Nukolova, N.V.; Chekhonin, V.P. |
| |
Title |
Relationship between the Size of Magnetic Nanoparticles and Efficiency of MRT Imaging of Cerebral Glioma in Rats |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Bulletin of experimental biology and medicine |
Abbreviated Journal |
B Exp Biol Med+ |
| |
Volume |
161 |
Issue |
2 |
Pages |
292-295 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
BSA-coated Fe3O4 nanoparticles with different hydrodynamic diameters (36 +/- 4 and 85 +/- 10 nm) were synthesized, zeta potential and T2 relaxivity were determined, and their morphology was studied by transmission electron microscopy. Studies on rats with experimental glioma C6 showed that smaller nanoparticles more effectively accumulated in the tumor and circulated longer in brain vessels. Optimization of the hydrodynamic diameter improves the efficiency of MRT contrast agent. |
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Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
New York |
Editor |
|
| |
Language |
|
Wos |
000380118500022 |
Publication Date |
2016-07-07 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0007-4888 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
0.456 |
Times cited |
5 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 0.456 |
| |
Call Number |
UA @ lucian @ c:irua:144707 |
Serial |
4684 |
| 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). |
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Address |
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| |
Corporate Author |
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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 |
|
Approved |
Most recent IF: 4.335; 2015 IF: NA |
| |
Call Number |
c:irua:126021 |
Serial |
3049 |
| Permanent link to this record |
| |
|
| |
|
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 |
|
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 |
Kirsanova, M.A.; Olenev, A.V.; Abakumov, A.M.; Bykov, M.A.; Shevelkov, A.V. |
| |
Title |
Extension of the clathrate family : the type X clathrate Ge79P29S18Te6 |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Angewandte Chemie: international edition in English |
Abbreviated Journal |
Angew Chem Int Edit |
| |
Volume |
50 |
Issue |
10 |
Pages |
2371-2374 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
Now they are 10! The title compound displays a new type of crystal structure and is labeled clathrate X according to the general classification of clathrate structures. In contrast to typical clathrates, this compound has three-coordinate atoms within the framework and combines distorted 24-vertex polyhedra (see picture, green) centered around tellurium guest atoms with very irregular 10-vertex polyhedra around sulfur atoms (yellow). |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| |
Language |
|
Wos |
000288036300033 |
Publication Date |
2011-01-31 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1433-7851; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
11.994 |
Times cited |
23 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 11.994; 2011 IF: 13.455 |
| |
Call Number |
UA @ lucian @ c:irua:88793 |
Serial |
1158 |
| Permanent link to this record |
