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“A Chemical Approach to Raise Cell Voltage and Suppress Phase Transition in O3 Sodium Layered Oxide Electrodes”. Sathiya M, Jacquet Q, Doublet ML, Karakulina OM, Hadermann J, Tarascon J-M, Advanced energy materials (2018). http://doi.org/10.1002/aenm.201702599
Abstract: Sodium ion batteries (NIBs) are one of the versatile technologies for lowcost rechargeable batteries. O3-type layered sodium transition metal oxides (NaMO2, M = transition metal ions) are one of the most promising positive electrode materials considering their capacity. However, the use of O3 phases is limited due to their low redox voltage and associated multiple phase transitions which are detrimental for long cycling. Herein, a simple strategy is proposed to successfully combat these issues. It consists of the introduction of a larger, nontransition metal ion Sn4+ in NaMO2 to prepare a series of NaNi0.5Mn0.5−y SnyO2 (y = 0–0.5) compositions with attractive electrochemical performances, namely for y = 0.5, which shows a single-phase transition from O3 ⇔ P3 at the very end of the oxidation process. Na-ion NaNi0.5Sn0.5O2/C coin cells are shown to deliver an average cell voltage of 3.1 V with an excellent capacity retention as compared to an average stepwise voltage of ≈2.8 V and limited capacity retention for the pure NaNi0.5Mn0.5O2 phase. This study potentially shows the way to manipulate the O3 NaMO2 for facilitating their practical use in NIBs.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 21.875
Times cited: 28
DOI: 10.1002/aenm.201702599
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“Insight into the Mechanisms of High Activity and Stability of Iridium Supported on Antimony-Doped Tin Oxide Aerogel for Anodes of Proton Exchange Membrane Water Electrolyzers”. Saveleva VA, Wang L, Kasian O, Batuk M, Hadermann J, Gallet J-j, Bournel F, Alonso-Vante N, Ozouf G, Beauger C, Mayrhofer KJJ, Cherevko S, Gago AS, Friedrich KA, Zafeiratos S, Savinova ER, Acs Catalysis 10, 2508 (2020). http://doi.org/10.1021/acscatal.9b04449
Abstract: The use of high amounts of iridium in industrial proton exchange membrane water electrolysers (PEMWE) could hinder their widespread use for the decarbonisation of society with hydrogen. Non-thermally oxidised Ir nanoparticles supported on antimony-doped tin oxide (SnO2:Sb, ATO) aerogel allow decreasing the use of the precious metal by more than 70 %, while enhancing the electro-catalytic activity and stability. To date the origin of these benefits remains unknown. Here we present clear evidence on the mechanisms that lead to the enhancement of the electrochemical properties of the catalyst. Operando near ambient pressure X-ray photoelectron spectroscopy on membrane electrode assemblies reveals a low degree of Ir oxidation, attributed to the oxygen spill-over from Ir to SnO2:Sb. Furthermore, the formation of highly unstable Ir(III) species is mitigated, while the decrease of Ir dissolution in Ir/SnO2:Sb is confirmed by inductively coupled plasma mass spectrometry (ICP-MS). The mechanisms that lead to the high activity and stability of Ir catalyst supported on SnO2:Sb aerogel for PEMWE are thus unveiled.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 12.9
DOI: 10.1021/acscatal.9b04449
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“New solid electrolyte Na9Al(MoO4)6 : structure and Na+ ion conductivity”. Savina AA, Morozov VA, Buzlukov AL, Arapova IY, Stefanovich SY, Baklanova YV, Denisova TA, Medvedeva NI, Bardet M, Hadermann J, Lazoryak BI, Khaikina EG, Chemistry of materials 29, 8901 (2017). http://doi.org/10.1021/ACS.CHEMMATER.7B03989
Abstract: <script type='text/javascript'>document.write(unpmarked('Solid electrolytes are important materials with a wide range of technological applications. This work reports the crystal structure and electrical properties of a new solid electrolyte Na9Al(MoO4)(6). The monoclinic Na9Al(MoO4)(6) consists of isolated polyhedral, [Al(MoO4)(6)](9-) clusters composed of a central AlO6 octahedron sharing vertices with six MoO4 tetrahedra to form a three-dimensional framework. The AlO6 octahedron also shares edges with one NalO(6) octahedron and two Na2O(6) octahedra. Na3-Na5 atoms are located in the framework cavities. The structure is related to that of sodium ion conductor II-Na3Fe2(AsO4)(3). High-temperature conductivity measurements revealed that the conductivity (sigma) of Na9Al(MoO4)(6) at 803 K equals 1.63 X 10(-2) S cm(-1). The temperature behavior of the Na-23 and Al-27 nuclear magnetic resonance spectra and the spin-lattice relaxation rates of the Na-23 nuclei indicate the presence of fast Na+ ion diffusion in the studied compound. At T\u003C490 K, diffusion occurs by means of Na+ ion jumps exclusively through the sublattice of Na3-Na5 positions, whereas Na1 and Na2 become involved in the diffusion processes (through chemical exchange with the Na3-Na5 sublattice) only at higher temperatures.'));
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 13
DOI: 10.1021/ACS.CHEMMATER.7B03989
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“Chemistry, local molybdenum clustering, and electrochemistry in the Li2+xMo1-xO3 solid solutions”. Savina AA, Saiutina VV, Morozov AV, Boev AO, Aksyonov DA, Dejoie C, Batuk M, Bals S, Hadermann J, Abakumov AM, Inorganic chemistry 61, 5637 (2022). http://doi.org/10.1021/ACS.INORGCHEM.2C00420
Abstract: A broad range of cationic nonstoichiometry has been demonstratedfor the Li-rich layered rock-salt-type oxide Li2MoO3, which has generally been considered as a phase with a well-defined chemical composition. Li2+xMo1-xO3(-0.037 <= x <= 0.124) solid solutions were synthesized via hydrogen reduction ofLi2MoO4in the temperature range of 650-1100 degrees C, withxdecreasing with theincrease of the reduction temperature. The solid solutions adopt a monoclinicallydistorted O3-type layered average structure and demonstrate a robust localordering of the Li cations and Mo3triangular clusters within the mixed Li/Mocationic layers. The local structure was scrutinized in detail by electron diffractionand aberration-corrected scanning transmission electron microcopy (STEM),resulting in an ordering model comprising a uniform distribution of the Mo3clusters compatible with local electroneutrality and chemical composition. The geometry of the triangular clusters with their oxygenenvironment (Mo3O13groups) has been directly visualized using differential phase contrast STEM imaging. The established localstructure was used as input for density functional theory (DFT)-based calculations; they support the proposed atomic arrangementand provide a plausible explanation for the staircase galvanostatic charge profiles upon electrochemical Li+extraction fromLi2+xMo1-xO3in Li cells. According to DFT, all electrochemical capacity in Li2+xMo1-xO3solely originates from the cationic Moredox process, which proceeds via oxidation of the Mo3triangular clusters into bent Mo3chains where the electronic capacity of the clusters depends on the initial chemical composition and Mo oxidation state defining the width of the first charge low-voltageplateau. Further oxidation at the high-voltage plateau proceeds through decomposition of the Mo3chains into Mo2dimers and further into individual Mo6+cations
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.6
Times cited: 3
DOI: 10.1021/ACS.INORGCHEM.2C00420
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“Structural chemistry and magnetic properties of the perovskite SrLa2Ni2TeO9”. Sena RP, Hadermann J, Chin C-M, Hunter EC, Battle PD, Journal of solid state chemistry 243, 304 (2016). http://doi.org/10.1016/J.JSSC.2016.09.004
Abstract: A polycrystalline sample of SrLa2Ni2TeO9 has been synthesized using a standard ceramic method and characterized by neutron diffraction, magnetometry and electron microscopy. The compound adopts a monoclinic, perovskite-like structure with space group P2(1)/n in and unit cell parameters a=5.6008(1), b = 5.5872(1), c=7.9018(2) angstrom, p=90.021(6)degrees at room temperature. The two crystallographically-distinct B sites are occupied by Ni2+ and Te6+ in ratios of 83:17 and 50:50. Both ac and dc magnetometry suggest that the compound is a spin glass below 35 K but the neutron diffraction data show that some regions of the sample are antiferromagnetic. Electron microscopy revealed twinning on a nanoscale and local variations in composition. These defects are thought to be responsible for the presence of two distinct types of antiferromagnetic ordering. (C) 2016 The Authors. Published by Elsevier Inc.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 6
DOI: 10.1016/J.JSSC.2016.09.004
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“Structures and magnetic ordering in layered Cr oxide arsenides Sr₂CrO₂Cr₂OAs₂, and Sr₂CrO₃CrAs”. Sheath BC, Xu X, Manuel P, Hadermann J, Batuk M, O'Sullivan J, Bonilla RS, Clarke SJ, Inorganic chemistry 61, 10 (2022). http://doi.org/10.1021/ACS.INORGCHEM.2C01773
Abstract: Two novel chromium oxide arsenide materials have been synthesized, Sr2CrO2Cr2OAs2 (i.e., Sr2Cr3As2O3) and Sr2CrO3CrAs (i.e., Sr2Cr2AsO3), both of which contain chromium ions in two distinct layers. Sr2CrO2Cr2OAs2 was targeted following electron microscopy measurements on a related phase. It crystallizes in the space group P4/mmm and accommodates distorted CrO4As2 octahedra containing Cr2+ and distorted CrO(2)As(4 )octahedra containing Cr3+. In contrast, Sr2CrO3CrAs incorporates Cr3+ in CrO5 square-pyramidal coordination in [Sr2CrO3](+) layers and Cr2+ ions in CrAs(4 )tetrahedra in [CrAs](-) layers and crystallizes in the space group P4/nmm. Powder neutron diffraction data reveal antiferromagnetic ordering in both compounds. In Sr2CrO3CrAs the Cr2+ moments in the [CrAs](-) layers exhibit long-range ordering, while the Cr3+ moments in the [Sr2CrO3](+) layers only exhibit short-range ordering. However, in Sr2CrO2Cr2OAs2, both the Cr(2+ )moments in the CrO4As2 environments and the Cr3+ moments in the CrO2As4 polyhedra are long-range-ordered below 530(10) K. Above this temperature, only the Cr3+ moments are ordered with a Neel temperature slightly in excess of 600 K. A subtle structural change is evident in Sr2CrO2Cr2OAs2 below the magnetic ordering transitions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.6
DOI: 10.1021/ACS.INORGCHEM.2C01773
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“Synthesis, structure and magnetic properties of the new mixed-valence vanadate Na2SrV3O9”. Shpanchenko RV, Chernaya VV, Antipov EV, Hadermann J, Kaul EE, Geibel C, Journal of solid state chemistry 173, 244 (2003). http://doi.org/10.1016/S0022-4596(03)00039-2
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 5
DOI: 10.1016/S0022-4596(03)00039-2
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“Crystal structure and magnetic properties of novel reduced V(IV)-based oxide Pb2V5O12”. Shpanchenko RV, Chyornaya VV, Abakumov AM, Antipov EV, Hadermann J, Van Tendeloo G, Kaul E, Geibel C, Sheptyakov D, Balagurov AM, Zeitschrift für anorganische und allgemeine Chemie 627, 2143 (2001). http://doi.org/10.1002/1521-3749(200109)627:9<2143::AID-ZAAC2143>3.0.CO;2-R
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.144
Times cited: 4
DOI: 10.1002/1521-3749(200109)627:9<2143::AID-ZAAC2143>3.0.CO;2-R
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“New lead vanadium phosphate with langbeinite-type structure: Pb1.5V2(PO4)3”. Shpanchenko RV, Lapshina OA, Antipov EV, Hadermann J, Kaul EE, Geibel C, Materials research bulletin 40, 1569 (2005). http://doi.org/10.1016/j.materresbull.2005.04.037
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.446
Times cited: 14
DOI: 10.1016/j.materresbull.2005.04.037
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“Synthesis and structure investigation of the Pb3V(PO4)3 eulytite”. Shpanchenko RV, Panin RV, Hadermann J, Bougerol C, Takayama-Muromachi E, Antipov EV, Journal of solid state chemistry 178, 3715 (2005). http://doi.org/10.1016/j.jssc.2005.09.045
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 17
DOI: 10.1016/j.jssc.2005.09.045
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“Synthesis and crystal structure of new titanyl phosphate Sr2TiO(PO4)2”. Shpanchenko RV, Tsirlin AA, Hadermann J, Antipov EV, Russian chemical bulletin 57, 552 (2008). http://doi.org/10.1007/s11172-008-0085-9
Abstract: New strontium titanyl phosphate Sr2TiO(PO4)2 (1) was synthesized and characterized by X-ray powder diffraction, electron diffraction, high-resolution electron microscopy, and band structure calculations. Titanyl phosphate 1 is isostructural with vanadyl phosphate Sr2VO(PO4)2 and has a layered structure. The titanium atoms are shifted from the centers of the TiO6 octahedra and form short (1.74 Å) titanyl bonds. The structure of 1 is an unusual example of the disordered orientation of the chains formed by TiO6 octahedra in complex titanium phosphates.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.529
Times cited: 2
DOI: 10.1007/s11172-008-0085-9
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“New germanates RCrGeO5 (R=NdEr, Y): synthesis, structure, and properties”. Shpanchenko RV, Tsirlin AA, Kondakova ES, Antipov EV, Bougerol C, Hadermann J, Van Tendeloo G, Sakurai H, Takayama-Muromachi E, Journal of solid state chemistry 181, 2433 (2008). http://doi.org/10.1016/j.jssc.2008.05.043
Abstract: The new complex germanates RCrGeO5 (R=NdEr, Y) have been synthesized and investigated by means of X-ray powder diffraction, electron microscopy, magnetic susceptibility and specific heat measurements. All the compounds are isostructural and crystallize in the orthorhombic symmetry, space group Pbam, and Z=4. The crystal structure of RCrGeO5, as refined using X-ray powder diffraction data, includes infinite chains built by edge-sharing Cr+3O6 octahedra with two alternating Cr−Cr distances. The chains are combined into a three-dimensional framework by Ge2O8 groups consisting of two edge-linked square pyramids oriented in opposite directions. The resulting framework contains pentagonal channels where rare-earth elements are located. Thus, RCrGeO5 germanates present new examples of RMn2O5-type compounds and show ordering of Cr+3 and Ge+4 cations. Electron diffraction as well as high-resolution electron microscopy confirm the structure solution. Magnetic susceptibility data for R=Nd, Sm, and Eu are qualitatively consistent with the presence of isolated 3d (antiferromagnetically coupled Cr+3 cations) and 4f (R+3) spin subsystems in the RCrGeO5 compounds. NdCrGeO5 undergoes long-range magnetic ordering at 2.6 K, while SmCrGeO5 and EuCrGeO5 do not show any phase transitions down to 2 K.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 6
DOI: 10.1016/j.jssc.2008.05.043
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“Achieving independent control of core diameter and carbon shell thickness in Pd-C core–shell nanoparticles by gas phase synthesis”. Singh V, Mehta BR, Sengar SK, Karakulina OM, Hadermann J, Kaushal A, Nanotechnology 28, 295603 (2017). http://doi.org/10.1088/1361-6528/aa7660
Abstract: Pd-C core–shell nanoparticles with independently controllable core size and shell thickness are grown by gas phase synthesis. First, the core size is selected by electrical mobility values of charged particles, and second, the shell thickness is controlled by the concentration of carbon precursor gas. The carbon shell grows by adsorption of carbon precursor gas molecules on the surface of nanoparticles, followed by sintering. The presence of a carbon shell on Pd nanoparticles is potentially important in hydrogen-related applications operating at high temperatures or in catalytic reactions in acidic/aqueous environments.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 3.44
Times cited: 1
DOI: 10.1088/1361-6528/aa7660
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“Mechanistic studies of gas reactions with multicomponent solids : what can we learn by combining NAP XPS and atomic resolution STEM/EDX?”.Sirotina AP, Callaert C, Volykhov AA, Frolov AS, Sanchez-Barriga J, Knop-Gericke A, Hadermann J, Yashina LV, The journal of physical chemistry: C : nanomaterials and interfaces 123, 26201 (2019). http://doi.org/10.1021/ACS.JPCC.9B05052
Abstract: Rapid development of experimental techniques has enabled real time studies of solid gas reactions at the level reaching the atomic scale. In the present paper, we focus on a combination of atomic resolution STEM/EDX, which visualizes the reaction zone, and near ambient pressure (NAP) XPS, which collects information for a surface layer of variable thickness under reaction conditions. We compare the behavior of two affined topological insulators, Bi2Te3 and Sb2Te3. We used a simple reaction with molecular oxygen occurring at 298 K, which is of practical importance to avoid material degradation. Despite certain limitations, a combination of in situ XPS and ex situ cross-sectional STEM/EDX allowed us to obtain a self-consistent picture of the solid gas reaction mechanism for oxidation of Sb2Te3 and Bi2Te3 crystals, which includes component redistribution between the oxide and the subsurface layer and Te segregation with formation of a thin ordered layer at the interface. The process is multistep in case of both compounds. At the very beginning of the oxidation process the reactivity is determined by the energy benefit of the corresponding element oxygen bond formation. Further in the oxidation process, the behavior of these two compounds becomes similar and features component redistribution between the oxide and the subsurface layer.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.536
DOI: 10.1021/ACS.JPCC.9B05052
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“Ambient and high pressure CuNiSb₂, : metal-ordered and metal-disordered NiAs-type derivative pnictides”. Skaggs CM, Kang C-J, Perez CJ, Hadermann J, Emge TJ, Frank CE, Pak C, Lapidus SH, Walker D, Kotliar G, Kauzlarich SM, Tan X, Greenblatt M, Inorganic Chemistry 59, 14058 (2020). http://doi.org/10.1021/ACS.INORGCHEM.0C01848
Abstract: The mineral Zlatogorite, CuNiSb2, was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb2-AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb2-AP crystallizes in the NiAs-derived structure (P (3) over bar m1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb6 and CuSb6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure (P6(3)/mmc, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb2-AP. The magnetic measurement indicates that CuNiSb2-AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb2-AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb2-8 GPa) was prepared by pressing CuNiSb2-AP at 700 degrees C and 8 GPa. However, the structures of single crystal and CuNiSb2-8 GPa are best fit with a disordered metal structure in the P (3) over bar m1 space group, corroborated by transmission electron microscopy.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.6
DOI: 10.1021/ACS.INORGCHEM.0C01848
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“Fluorine intercalation in the n=1 and n=2 layered manganites Sr2MnO3.5+x and Sr3Mn2O6”. Sullivan E, Gillie LJ, Hadermann J, Greaves C, Materials research bulletin 48, 1598 (2013). http://doi.org/10.1016/j.materresbull.2012.12.073
Abstract: Fluorine insertion into the oxygen defect superstructure manganite Sr2MnO3.5+x has been shown by transmission electron microscopy (TEM) to result in two levels of fluorination. In the higher fluorine content sections, the fluorine anions displace oxygen anions from their apical positions into the equatorial vacancies, thus destroying the superstructure and reverting to a K2NiF4-type structure (a = 3.8210(1) angstrom and c = 12.686(1) angstrom). Conversely, lower fluorine content sections retain the Sr2MnO3.5+x defect superstructure, crystallising in the P2(1)/c space group. Fluorine intercalation into the reduced double-layer manganite Sr3Mn2O6 occurs in a step-wise fashion according to the general formula Sr3Mn2O6Fy with y = 1, 2, and 3. It is proposed that the y = 1 phase (a = 3.815(1)angstrom, c = 20.29(2) angstrom) is produced by the filling of all the equatorial oxygen vacancies by fluorine atoms whilst the y = 2 phase (a = 3.8222(2) angstrom, c = 21.2435(3)angstrom) has a random distribution of fluorine anions throughout both interstitial rocksalt and equatorial sites. Neutron powder diffraction data suggest that the fully fluorinated y = 3 phase (a = 3.8157(6) angstrom, c = 23.666(4) angstrom) corresponds to the complete occupation of all the equatorial oxygen vacancies and the interstitial sites by intercalated fluorine. (C) 2013 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.446
Times cited: 4
DOI: 10.1016/j.materresbull.2012.12.073
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“Crystallographic and magnetic characterisation of the brownmillerite Sr2Co2O5”. Sullivan E, Hadermann J, Greaves C, Journal of solid state chemistry 184, 649 (2011). http://doi.org/10.1016/j.jssc.2011.01.026
Abstract: Sr2Co2O5 with the perovskite-related brownmillerite structure has been synthesised via quenching, with the orthorhombic unit cell parameters a=5.4639(3) Å, b=15.6486(8) Å and c=5.5667(3) Å based on refinement of neutron powder diffraction data collected at 4 K. Electron microscopy revealed LRLR-intralayer ordering of chain orientations, which require a doubling of the unit cell along the c-parameter, consistent with the assignment of the space group Pcmb. However, on the length scale pertinent to NPD, no long-range order is observed and the disordered space group Imma appears more appropriate. The magnetic structure corresponds to G-type order with a moment of 3.00(4) μB directed along [1 0 0].
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 19
DOI: 10.1016/j.jssc.2011.01.026
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“MnFe0.5Ru0.5O3 : an above-room-temperature antiferromagnetic semiconductor”. Tan X, McCabe EE, Orlandi F, Manuel P, Batuk M, Hadermann J, Deng Z, Jin C, Nowik I, Herber R, Segre CU, Liu S, Croft M, Kang C-J, Lapidus S, Frank CE, Padmanabhan H, Gopalan V, Wu M, Li M-R, Kotliar G, Walker D, Greenblatt M, Journal of materials chemistry C : materials for optical and electronic devices 7, 509 (2019). http://doi.org/10.1039/C8TC05059G
Abstract: A transition-metal-only MnFe0.5Ru0.5O3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO2, Fe2O3, RuO2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe0.5Ru0.5O3 adopts the corundum (alpha-Fe2O3) structure type with space group R (3) over barc, in which all metal ions are disordered. The centrosymmetric nature of the MnFe0.5Ru0.5O3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mossbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and similar to 4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. Fe-57 Mossbauer confirmed the magnetic ordering and Fe3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe0.5Ru0.5O3 and related corundum Mn2BB'O-6 derivatives is discussed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.256
Times cited: 1
DOI: 10.1039/C8TC05059G
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“Tetragonal Cs1.17In0.81Cl3 : a charge-ordered indium halide perovskite derivative”. Tan X, Stephens PW, Hendrickx M, Hadermann J, Segre CU, Croft M, Kang C-J, Deng Z, Lapidus SH, Kim SW, Jin C, Kotliar G, Greenblatt M, Chemistry of materials 31, 1981 (2019). http://doi.org/10.1021/ACS.CHEMMATER.8B04771
Abstract: Polycrystalline samples of Cs1.17In0.81Cl3 were prepared by annealing a mixture of CsCl, InCl, and InCl3, stoichiometric for the targeted CsInCl3. Synchrotron powder X-ray diffraction refinement and chemical analysis by energy dispersive X-ray indicated that Cs1.17In0.81Cl3, a tetragonal distorted perovskite derivative (I4/m), is the thermodynamically stable product. The refined unit cell parameters and space group were confirmed by electron diffraction. In the tetragonal structure, In+ and In3+ are located in four different crystallographic sites, consistent with their corresponding bond lengths. In1, In2, and In3 are octahedrally coordinated, whereas In4 is at the center of a pentagonal bipyramid of Cl because of the noncooperative octahedral tilting of In4Cl6. The charged-ordered In+ and In3+ were also confirmed by X-ray absorption and Raman spectroscopy. Cs1.17In0.81Cl3 is the first example of an inorganic halide double perovskite derivative with charged-ordered In+ and In3+. Band structure and optical conductivity calculations were carried out with both generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) approach; the GGA calculations estimated the band gap and optical band gap to be 2.27 eV and 2.4 eV, respectively. The large and indirect band gap suggests that Cs1.17In0.81Cl3 is not a good candidate for photovoltaic application.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 6
DOI: 10.1021/ACS.CHEMMATER.8B04771
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“Ferrimagnetism as a consequence of unusual cation ordering in the Perovskite SrLa2FeCoSbO9”. Tang Y, Hunter EC, Battle PD, Hendrickx M, Hadermann J, Cadogan JM, Inorganic chemistry 57, 7438 (2018). http://doi.org/10.1021/ACS.INORGCHEM.8B01012
Abstract: A polycrystalline sample of SrLa2FeCoSbO9 has been prepared in a solid-state reaction and studied by a combination of electron microscopy, magnetometry, Mossbauer spectroscopy, X-ray diffraction, and neutron diffraction. The compound adopts a monoclinic (space group P2(1)/n; a = 5.6218(6), b = 5.6221(6), c = 7.9440(8) angstrom, beta = 90.050(7)degrees at 300 K) perovskite-like crystal structure with two crystallographically distinct six-coordinate sites. One of these sites is occupied by 2/3 Co-2(+),1/3 Fe3+ and the other by 2/3 Sb5+, 1/3 Fe3+. This pattern of cation ordering results in a transition to a ferrimagnetic phase at 215 K. The magnetic moments on nearest-neighbor, six-coordinate cations align in an antiparallel manner, and the presence of diamagnetic Sb5+ on only one of the two sites results in a nonzero remanent magnetization of similar to 1 mu(B) per formula unit at 5 K.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 6
DOI: 10.1021/ACS.INORGCHEM.8B01012
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“Structural chemistry and magnetic properties of the perovskite Sr3Fe2TeO9”. Tang Y, Hunter EC, Battle PD, Sena RP, Hadermann J, Avdeev M, Cadogan JM, Journal of solid state chemistry 242, 86 (2016). http://doi.org/10.1016/j.jssc.2016.06.024
Abstract: A polycrystalline sample of perovskite-like Sr3Fe2TeO9 has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. The majority of the reaction product is shown to be a trigonal phase with a 2:1 ordered arrangement of Fe3+ and Te6+ cations. However, the sample is prone to nano twinning and tetragonal domains with a different pattern of cation ordering exist within many crystallites. Antiferromagnetic ordering exists in the trigonal phase at 300 K and Sr3Fe2TeO9 is thus the first example of a perovskite with 2:1 trigonal cation ordering to show long-range magnetic order. At 300 K the antiferromagnetic phase coexists with two paramagnetic phases which show spin -glass behaviour below similar to 80 K. (C) 2016 The Authors. Published by Elsevier Inc.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 12
DOI: 10.1016/j.jssc.2016.06.024
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“Magnetic properties of the 6H perovskite Ba3Fe2TeO9”. Tang Y, Sena RP, Aydeev M, Battle PD, Cadogan JM, Hadermann J, Hunter EC, Journal of solid state chemistry 253, 347 (2017). http://doi.org/10.1016/J.JSSC.2017.06.019
Abstract: A polycrystalline sample of Ba3Fe2TeO9 having the 6H perovskite structure has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. Partial ordering of Fe3+ and Te6+ cations occurs over the six-coordinate sites; the corner-sharing octahedra are predominantly occupied by the former and the face-sharing octahedra by a 1:1 mixture of the two. On cooling through the temperature range 18 < T/K < 295 an increasing number of spins join an antiferromagnetic backbone running through the structure while the remainder show complex relaxation effects. At 3 K an antiferromagnetic phase and a spin glass coexist.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 6
DOI: 10.1016/J.JSSC.2017.06.019
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“Crystal structure and magnetic properties of complex oxides Mg4-xNixO9, 0\leq x\leq4”. Tarakina NV, Nikulina EA, Hadermann J, Kellerman DG, Tyutunnik AP, Berger IF, Zubkov VG, Van Tendeloo G, Journal of solid state chemistry 180, 3180 (2007). http://doi.org/10.1016/j.jssc.2007.09.007
Abstract: In the Mg4−xNixNb2O9 (0x4) system two ranges of solid solution have been found. One of the solid solutions has a corundum-related structure type (space group ); the second one adopts the II-Ni4Nb2O9 structure type (space group Pbcn). The unit cell constants and atomic positions have been determined and refined using neutron powder diffraction data. Electron diffraction and high-resolution transmission electron microscopy (HRTEM) from MgNi3Nb2O9 crystals identify the presence of planar defects and the intergrowth of several (structurally related) phases. The magnetic susceptibility of Mg3NiNb2O9, measured in the temperature range T=2300 K, shows no indications of magnetic ordering at low temperatures, while for MgNi3Nb2O9 there is a magnetic ordering at temperatures below 45.5 K.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 3
DOI: 10.1016/j.jssc.2007.09.007
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“Crystal structure of the group of optical materials Ln2MeGe4O12 (Me = Ca, Mn)”. Tarakina NV, Zubkov VG, Leonidov II, Tyutunnik AP, Surat LL, Hadermann J, Van Tendeloo G, Zeitschrift für Kristallographie , 401 (2009). http://doi.org/10.1524/zksu.2009.0059
Abstract: The crystal structure of the group of optical materials Ln2MeGe4O12, Ln = Eu, Gd, Dy-Lu, Y; Me = Ca, Mn and of the solid solution (Y1-xErx)2CaGe4O12 (x = 0 – 1), promising materials for photonics, has been studied in detail. The crystal structure of all compounds exhibit two alternating layers: one formed by Ln and Me atoms and another by cyclic [Ge4O12]8- anions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 7
DOI: 10.1524/zksu.2009.0059
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“Crystal structure and properties of the new complex vanadium oxide K2SrV3O9”. Tsirlin AA, Chernaya VV, Shpanchenko RV, Antipov EV, Hadermann J, Materials research bulletin 40, 800 (2005). http://doi.org/10.1016/j.materresbull.2005.02.004
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.446
Times cited: 9
DOI: 10.1016/j.materresbull.2005.02.004
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“Spin ladder compound Pb0.55Cd0.45V2O5: synthesis and investigation”. Tsirlin AA, Shpanchenko RV, Antipov EV, Bougerol C, Hadermann J, Van Tendeloo G, Schnelle W, Rosner H, Physical review : B : condensed matter and materials physics 76, 104429 (2007). http://doi.org/10.1103/PhysRevB.76.104429
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 1
DOI: 10.1103/PhysRevB.76.104429
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“Composition and crystal structure of resorbable calcium phosphate thin films”. Tuck L, Sayer M, Mackenzie M, Hadermann J, Dunfield D, Pietak A, Reid JW, Stratilatov AD, Journal of materials science 41, 4273 (2006). http://doi.org/10.1007/s10853-005-5532-5
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.599
Times cited: 2
DOI: 10.1007/s10853-005-5532-5
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“Compatibility of Zr₂AlC MAX phase-based ceramics with oxygen-poor, static liquid lead-bismuth eutectic”. Tunca B, Lapauw T, Callaert C, Hadermann J, Delville R, Caspi E'ad N, Dahlqvist M, Rosen J, Marshal A, Pradeep KG, Schneider JM, Vleugels J, Lambrinou K, Corrosion Science 171, 108704 (2020). http://doi.org/10.1016/J.CORSCI.2020.108704
Abstract: This work investigates the compatibility of Zr2AlC MAX phase-based ceramics with liquid LBE, and proposes a mechanism to explain the observed local Zr2AlC/LBE interaction. The ceramics were exposed to oxygen-poor (C-O <= 2.2 x 10(-10) mass%), static liquid LBE at 500 degrees C for 1000 h. A new Zr-2(Al,Bi,Pb)C MAX phase solid solution formed in-situ in the LBE-affected Zr2AlC grains. Out-of-plane ordering was favorable in the new solid solution, whereby A-layers with high and low-Bi/Pb contents alternated in the crystal structure, in agreement with first-principles calculations. Bulk Zr-2(Al,Bi,Pb)C was synthesized by reactive hot pressing to study the crystal structure of the solid solution by neutron diffraction.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 8.3
Times cited: 3
DOI: 10.1016/J.CORSCI.2020.108704
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“Synthesis and Characterization of Double Solid Solution (Zr,Ti)(2)(Al,Sn)C MAX Phase Ceramics”. Tunca B, Lapauw T, Delville R, Neuville DR, Hennet L, Thiaudiere D, Ouisse T, Hadermann J, Vleugels J, Lambrinou K, Inorganic chemistry 58, 6669 (2019). http://doi.org/10.1021/ACS.INORGCHEM.9B00065
Abstract: Quasi phase-pure (>98 wt %) MAX phase solid solution ceramics with the (ZryTi)(2)(Al-0.5,Sn-0.5)C stoichiometry and variable Zr/Ti ratios were synthesized by both reactive hot pressing and pressureless sintering of ZrH2, TiH2, Al, Sn, and C powder mixtures. The influence of the different processing parameters, such as applied pressure and sintering atmosphere, on phase purity and microstructure of the produced ceramics was investigated. The addition of Sn to the (Zr,Ti)(2)AlC system was the key to achieve phase purity. Its effect on the crystal structure of a 211-type MAX phase was assessed by calculating the distortions of the octahedral M6C and trigonal M(6)A prisms due to steric effects. The M(6)A prismatic distortion values were found to be smaller in Sn-containing double solid solutions than in the (Zr,Ti)(2)AlC MAX phases. The coefficients of thermal expansion along the < a > and < c > directions were measured by means of Rietveld refinement of high-temperature synchrotron X-ray diffraction data of (Zr1-x,Ti-x)(2)(Al-0.5,Sn-0.5)C MAX phase solid solutions with x = 0, 0.3, 0.7, and 1. The thermal expansion coefficient data of the Ti-2(Al-0.5,Sn-0.5)C solid solution were compared with those of the Ti2AlC and Ti2SnC ternary compounds. The thermal expansion anisotropy increased in the (Zr,Ti)(2)(Al-0.5,Sn-0.5)C double solid solution MAX phases as compared to the Zr-2(Al-0.5,Sn-0.5)C and Ti-2(Al-0.5,Sn-0.5)C end-members.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 3
DOI: 10.1021/ACS.INORGCHEM.9B00065
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“Synthesis of MAX Phases in the Zr-Ti-Al-C System”. Tunca B, Lapauw T, Karakulina OM, Batuk M, Cabioc’h T, Hadermann J, Delville R, Lambrinou K, Vleugels J, Inorganic chemistry 56, 3489 (2017). http://doi.org/10.1021/acs.inorgchem.6b03057
Abstract: This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti)n+1AlCn system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350–1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl2, ZrAl3, and Zr2Al3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard’s law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard’s law around the (Zr0.33,Ti0.67)3Al1.2C1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M6X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 26
DOI: 10.1021/acs.inorgchem.6b03057
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