ORCID Profile
0000-0003-2205-3106
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In Research Link Australia (RLA), "Research Topics" refer to ANZSRC FOR and SEO codes. These topics are either sourced from ANZSRC FOR and SEO codes listed in researchers' related grants or generated by a large language model (LLM) based on their publications.
Inorganic Chemistry | Solid State Chemistry | Materials Engineering | Solid State Chemistry | Structural Chemistry and Spectroscopy | Functional Materials | Condensed Matter Physics—Electronic And Magnetic Properties; | Surfaces and Structural Properties of Condensed Matter | Electronic and Magnetic Properties of Condensed Matter; Superconductivity | Ceramics | Inorganic chemistry | Metals and Alloy Materials | Condensed Matter Physics—Structural Properties | Solid state chemistry | Inorganic Green Chemistry | Materials Engineering Not Elsewhere Classified | Electronic and magnetic properties of condensed matter; superconductivity | Bioinorganic chemistry | Mineralogy and Crystallography | Physical Chemistry of Materials | Mineralogy And Crystallography | Functional materials | Physical Chemistry not elsewhere classified | Compound Semiconductors | Catalysis and Mechanisms of Reactions | Physical Chemistry (Incl. Structural) |
Expanding Knowledge in the Chemical Sciences | Chemical sciences | Physical sciences | Energy Storage (excl. Hydrogen) | Expanding Knowledge in the Physical Sciences | Ceramics | Inorganic industrial chemicals | Ceramics | Other | Expanding Knowledge in Technology | Energy Conservation and Efficiency not elsewhere classified | Renewable Energy not elsewhere classified | Management of Greenhouse Gas Emissions from Electricity Generation | Biological sciences | Earth sciences | Integrated Circuits and Devices | Manufactured products not elsewhere classified | Basic Metal Products (incl. Smelting, Rolling, Drawing and Extruding) not elsewhere classified | Hydrogen Production from Renewable Energy | Ceramics, glass and industrial mineral products | Solar-Photovoltaic Energy | "Stone, ceramics and clay materials" |
Publisher: American Chemical Society (ACS)
Date: 17-08-2017
Publisher: International Union of Crystallography (IUCr)
Date: 04-1999
DOI: 10.1107/S0108768198011148
Abstract: The structure of heptabismuth tritantalum octadecaoxide, Bi 7 Ta 3 O 18 , has been solved and refined using single-crystal X-ray diffraction data collected at a synchrotron source in conjunction with unit-cell and symmetry information derived from electron diffraction. The space-group symmetry is triclinic C 1 but is very close to monoclinic C 2/ m . A twin component observed during data collection was successfully modelled in the refinement. The C 2/ m prototype fitted all the Rietveld-refinable features of a medium-resolution neutron powder diffraction pattern. The metal-atom array is approximately face-centred cubic (fluorite type), punctuated by regularly spaced displacement faults perpendicular to the [111] fluorite direction every 2.5 fluorite unit cells. The metal-atom populations and O-atom positions are fully ordered. The Ta 5+ cations are octahedrally coordinated, with TaO 6 octahedra forming columns. The remaining O atoms occupy distorted fluorite positions. The Bi 3+ cations occupy octahedral, square pyramidal or trigonal prismatic sites within the O-atom array strain in the latter coordination environment appears to be responsible for the lowering of symmetry from monoclinic to triclinic.
Publisher: American Chemical Society (ACS)
Date: 24-12-2014
DOI: 10.1021/IC4023745
Abstract: The key role played by bismuth in an average intermediate oxidation state in the magnetoelastic spin-gap compounds Ba3BiRu2O9 and Ba3BiIr2O9 has been confirmed by systematically replacing bismuth with La(3+) and Ce(4+). Through a combination of powder diffraction (neutron and synchrotron), X-ray absorption spectroscopy, and magnetic properties measurements, we show that Ru/Ir cations in Ba3BiRu2O9 and Ba3BiIr2O9 have oxidation states between +4 and +4.5, suggesting that Bi cations exist in an unusual average oxidation state intermediate between the conventional +3 and +5 states (which is confirmed by the Bi L3-edge spectrum of Ba3BiRu2O9). Precise measurements of lattice parameters from synchrotron diffraction are consistent with the presence of intermediate oxidation state bismuth cations throughout the doping ranges. We find that relatively small amounts of doping (∼10 at%) on the bismuth site suppress and then completely eliminate the sharp structural and magnetic transitions observed in pure Ba3BiRu2O9 and Ba3BiIr2O9, strongly suggesting that the unstable electronic state of bismuth plays a critical role in the behavior of these materials.
Publisher: International Union of Crystallography (IUCr)
Date: 12-1996
DOI: 10.1107/S0108768196008075
Abstract: Attempts to synthesize Sb-based analogues of the known Bi-based Aurivillius phase, Bi 3 TiNbO 9 , have led to the discovery of an isomorphous pair of a new type of layered intergrowth phase of general stoichiometry Sb 3+ x Nb 3− x TiO 14 and Sb 3+ x Ta 3− x TiO 14 . Electron diffraction proved essential for the initial recognition and structural characterization of these phases. The structures of Sb 3+ x Nb 3− x TiO 14 , x = 0.89, and Sb 3+ x Ta 3− x TiO 14 , x = 1.26, are reported. The structures are described as ordered intergrowths of β -Sb 2 O 4 -type and Sb 2 O 5 -type structures, with Nb V /Ta V substituting for Sb V in the former and Nb V /Ta V /Ti IV substituting for Sb V in the latter.
Publisher: Elsevier BV
Date: 11-2018
Publisher: IOP Publishing
Date: 24-04-2012
DOI: 10.1088/0953-8984/24/20/206004
Abstract: Ba(3)Fe(2.15)W(0.85)O(8.72) has been grown as large single crystals using the floating-zone method, permitting very precise characterization of the nuclear and magnetic structures by neutron and synchrotron diffraction methods. The results of our structural investigation are combined with dc and ac magnetization and heat capacity measurements to give an unusually complete and detailed picture of a complex magnetic system. The compound crystallizes in the hexagonal perovskite structure (space group P6(3)/mmc) and reveals antiferromagnetic order below T(N) = 290 K. Frequency-dependent ac susceptibility and the presence of magnetic viscosity suggest the onset of a spin glass component in this material below T(f) = 60 K. These findings are discussed on the basis of detailed analysis of the crystalo-chemical properties, supported by ab initio (density functional theory) calculations.
Publisher: Springer Science and Business Media LLC
Date: 26-07-2016
DOI: 10.1038/SREP30530
Abstract: Phonons in condensed matter materials transmit energy through atomic lattices as coherent vibrational waves. Like electronic and photonic properties, an improved understanding of phononic properties is essential for the development of functional materials, including thermoelectric materials. Recently, an Einstein rattling mode was found in thermoelectric material Na 0.8 CoO 2 , due to the large displacement of Na between the [CoO 2 ] layers. In this work, we have realized a different type of rattler in another thermoelectric material Ca 3 Co 4 O 9 by chemical doping, which possesses the same [CoO 2 ] layer as Na 0.8 CoO 2 . It remarkably suppressed the thermal conductivity while enhancing its electrical conductivity. This new type of rattler was investigated by inelastic neutron scattering experiments in conjunction with ab-initio molecular dynamics simulations. We found that the large mass of dopant rather than the large displacement is responsible for such rattling in present study, which is fundamentally different from skutterudites, clathrates as well as Na analogue. We have also tentatively studied the phonon band structure of this material by DFT lattice dynamics simulation, showing the relative contribution to phonons in the distinct layers of Ca 3 Co 4 O 9.
Publisher: Elsevier BV
Date: 09-2013
Publisher: IOP Publishing
Date: 12-02-2019
Abstract: We design a facile approach to prepare a bimetallic transition-metal-sulphide-based 3D hierarchically-ordered porous electrode based on bimetallic metal-organic frameworks (Ni-Co-MOFs) by using confinement growth and in-situ sulphurisation techniques. In the novel resulting architectures, Ni-Co-S nanoparticles are confined in bowknot-like and flower-like carbon networks and are mechanically isolated but electronically well-connected, where the carbon networks with a honeycomb-like feature facilitate electron transfer with uninterrupted conductive channels from all sides. Moreover, these hierarchically-ordered porous structures together with internal voids can accommodate the volume expansion of the embedded Ni-Co-S nanoparticles. The pseudocapacitive behaviours displayed in the NCS@CBs and NCS@CFs occupied a significant portion in the redox processes. Because of these merits, both the as-built bowknot and flower networks show excellent electrochemical properties for lithium storage with superior rate capability and robust cycling stability (994 mAh g
Publisher: American Chemical Society (ACS)
Date: 10-2021
Publisher: Elsevier BV
Date: 02-2019
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6DT01074A
Abstract: Fe 4 Si 2 Sn 7 O 16 has a unique crystal structure that contains alternating layers of Fe 2+ ions octahedrally coordinated by O (oxide layer) and Sn (stannide layer), bridged by SiO 4 tetrahedra.
Publisher: Elsevier BV
Date: 08-2011
Publisher: American Chemical Society (ACS)
Date: 12-07-2018
Publisher: American Chemical Society (ACS)
Date: 02-08-2012
DOI: 10.1021/IC300374W
Abstract: The new compound LiNaCo[PO(4)]F was synthesized by a solid state reaction route, and its crystal structure was determined by single-crystal X-ray diffraction measurements. The magnetic properties of LiNaCo[PO(4)]F were characterized by magnetic susceptibility, specific heat, and neutron powder diffraction measurements and also by density functional calculations. LiNaCo[PO(4)]F crystallizes with orthorhombic symmetry, space group Pnma, with a = 10.9334(6), b = 6.2934(11), c = 11.3556(10) Å, and Z = 8. The structure consists of edge-sharing CoO(4)F(2) octahedra forming CoFO(3) chains running along the b axis. These chains are interlinked by PO(4) tetrahedra forming a three-dimensional framework with the tunnels and the cavities filled by the well-ordered sodium and lithium atoms, respectively. The magnetic susceptibility follows the Curie-Weiss behavior above 60 K with θ = -21 K. The specific heat and magnetization measurements show that LiNaCo[PO(4)]F undergoes a three-dimensional magnetic ordering at T(mag) = 10.2(5) K. The neutron powder diffraction measurements at 3 K show that the spins in each CoFO(3) chain along the b-direction are ferromagnetically coupled, while these FM chains are antiferromagnetically coupled along the a-direction but have a noncollinear arrangement along the c-direction. The noncollinear spin arrangement implies the presence of spin conflict along the c-direction. The observed magnetic structures are well explained by the spin exchange constants determined from density functional calculations.
Publisher: American Chemical Society (ACS)
Date: 17-12-2012
DOI: 10.1021/IC302191D
Abstract: The crystal and magnetic structure and properties of the Na(2)CoP(2)O(7) Na(+)-ion battery cathode material have been characterized by magnetic susceptibility, specific heat, and variable-temperature neutron powder diffraction measurements. Na(2)CoP(2)O(7) crystallizes in the orthorhombic space group Pna2(1) with a = 15.4061(3) Å, b = 10.28854(9) Å, and c = 7.70316(15) Å, having a layered structure with slabs of [CoP(2)O(7)](∞) separated by Na cations. The magnetic property measurements and neutron diffraction data analysis reveal that the material undergoes long-range ordering to a noncollinear antiferromagnetic G-type structure below T(N) ≈ 6.5 K. The magnetic structure is rationalized as a result of supersuperexchange between Co(2+) atoms linked by phosphate groups.
Publisher: American Physical Society (APS)
Date: 18-02-2009
Publisher: International Union of Crystallography (IUCr)
Date: 06-1999
DOI: 10.1107/S0108768198014086
Abstract: The (isomorphous) structures of Bi 14 WO 24 , tetradecabismuth tungsten tetracosaoxide, and Bi 14 MoO 24 , tetradecabismuth molybdenum tetracosaoxide, have been solved and refined using neutron powder diffraction data in the space group I 4/ m . The metal-atom array is fully ordered in terms of composition, and in terms of atomic positions deviates only slightly from a fluorite-type δ-Bi 2 O 3 -related parent structure. Three independent O-atom sites (accounting for 70 out of 78 O atoms in the unit cell) are also very close to fluorite-type parent positions. The remaining two O-atom sites, which coordinate W, exhibit partial occupancies and displacive disorder, neither of which could be better modelled by lowering of symmetry. The W site is coordinated by four O atoms in highly distorted tetrahedral coordination, the tetrahedron necessarily being orientationally disordered on that site. Nonetheless, the structure appears to be chemically reasonable.
Publisher: Wiley
Date: 24-02-2014
Abstract: Pressure-induced charge transfer from Bi to Ir/Ru is observed in the hexagonal perovskites Ba(3+n)BiM(2+n)O(9+3n) (n=0,1 M=Ir,Ru). These compounds show first-order, circa 1% volume contractions at room temperature above 5 GPa, which are due to the large reduction in the effective ionic radius of Bi when the 6s shell is emptied on oxidation, compared to the relatively negligible effect of reduction on the radii of Ir or Ru. They are the first such transitions involving 4d and 5d compounds, and they double the total number of cases known. Ab initio calculations suggest that magnetic interactions through very short (ca. 2.6 Å) M-M bonds contribute to the finely balanced nature of their electronic states.
Publisher: American Chemical Society (ACS)
Date: 26-08-2013
DOI: 10.1021/CM401657C
Publisher: IOP Publishing
Date: 18-11-2019
Abstract: Layered sodium iron phosphate phase [Na 3 Fe 3 (PO 4 ) 4 ] was synthesized by solution combustion synthesis method, marking the first attempt of solvothermal synthesis of this phase. Its crystal structure was verified by synchrotron and neutron powder diffraction. Rietveld analyses proved the phase purity and formation of monoclinic framework with C 2/ c symmetry. It undergoes an antiferromagnetic ordering ∼27 K. This combustion prepared nanoscale Na 3 Fe 3 (PO 4 ) 4 compound was found to be electrochemically active with a stepwise voltage profile involving an Fe 3+ /Fe 2+ redox activity centred at 2.43 V vs. Na/Na + . Despite various cathode optimization, only 1.8 Na + per formula unit could be reversibly inserted into the Na 3 Fe 3 (PO 4 ) 4 framework leading to capacity close to 50 mAh g −1 . This limited electrochemical activity can be rooted to (i) relatively large diffusion barrier (ca. 0.28 eV) as per Bond valence site energy (BVSE) calculations and (ii) possible structural instability during (de)sodiation reaction.
Publisher: International Union of Crystallography (IUCr)
Date: 17-07-2007
DOI: 10.1107/S0108768107019441
Abstract: The structure of Ba 3 BaSb 2 O 9 is reported for the first time as a high-temperature phase with an ideal hexagonal BaTiO 3 -type structure (space group P 6 3 / mmc ) and Rietveld-refined against high-temperature synchrotron X-ray powder diffraction data. The structure is remarkable for the extreme size difference between the pairs of face-sharing Sb 5+ O 6 octahedra (with mean Sb—O bonds of 1.99 Å) and the single corner-sharing Ba 2+ O 6 octahedra (with mean Ba—O bonds of 2.46 Å), which is greater than for any other reported 6H perovskite. This is consistent with the very different ionic radii of Sb 5+ (0.60 Å) and Ba 2+ (1.35 Å), and accounts for the instability of this phase at room temperature. The known symmetry-lowering modes of closely related 6H perovskites such as Ba 3 SrNb 2 O 9 and Ba 3 SrTa 2 O 9 are considered, but found not to account for the behaviour of Ba 3 BaSb 2 O 9 on cooling from high temperatures.
Publisher: American Chemical Society (ACS)
Date: 21-09-2020
Publisher: American Chemical Society (ACS)
Date: 21-10-2013
DOI: 10.1021/IC4014619
Abstract: The 12L hexagonal perovskite Ba4BiIr3O12 has been synthesized for the first time and characterized using high-resolution neutron and synchrotron X-ray diffraction as well as physical properties measurements. The structure contains Ir3O12 linear face-sharing octahedral trimer units, bridged by corner-sharing BiO6 octahedra. The average electronic configurations of Ir and Bi are shown to be +4(d(5)) and +4(s(1)), respectively, the same as for the S = 1/2 dimer system Ba3BiIr2O9, which undergoes a spin-gap opening with a strong magnetoelastic effect at T* = 74 K. Anomalies in magnetic susceptibility, heat capacity, electrical resistivity, and unit cell parameters indeed reveal an analogous effect at T* ≈ 215 K in Ba4BiIr3O12. However, the transition is not accompanied by the opening of a gap in spin excitation spectrum, because antiferromagnetic coupling among S = 1/2 Ir(4+) (d(5)) cations leads to the formation of a S = 1/2 doublet within the trimers, vs S = 0 singlets within dimers. The change in magnetic state of the trimers at T* leads to a structural distortion, the energy of which is overcompensated for by the formation of S = 1/2 doublets. Extending this insight to the dimer system Ba3BiIr2O9 sheds new light on the more pronounced low-temperature anomalies observed for that compound.
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C3DT52587B
Abstract: Both structures of LiNaMg[PO 4 ]F and LiNaNi[PO 4 ]F are isostructural and the magnetic structure of LiNaNi[PO 4 ]F can be described as AFM coupling of FM quasi-layers of zigzag edge sharing octahedral chains.
Publisher: American Chemical Society (ACS)
Date: 13-07-2016
DOI: 10.1021/ACS.INORGCHEM.6B00923
Abstract: We report a new gaudefroyite-type compound YCa3(CrO)3(BO3)4, in which Cr(3+) ions (3d(3), S = 3/2) form an undistorted kagomé lattice. Using a flux agent, the synthesis was significantly accelerated with the typical calcining time reduced from more than 2 weeks to 2 d. The structure of YCa3(CrO)3(BO3)4 was determined by combined Rietveld refinements against X-ray and neutron diffraction data. Symmetry distortion refinement starting from a disordered YCa3(MnO)3(BO3)4 model was applied to avoid overparameterization. There are two ordering models, namely, K2-1 and K2-2, with the space groups P63 (No. 173) and P3̅ (No. 147), respectively, that differ in the [BO3] ordering between different channels (in-phase or out-of-phase). Both models give similarly good fits to the diffraction data. YCa3(CrO)3(BO3)4 is an insulator with the major band gap at Eg = 1.65 eV and a second transition at 1.78 eV. Magnetically, YCa3(CrO)3(BO3)4 is dominated by anti-ferromagnetic exchange along edge-sharing CrO6 octahedral chains perpendicular to the kagomé planes, with Θ ≈ -120 K and μeff ≈ 3.92 μB. The compound shows no spin ordering or freezing down to at least 2 K.
Publisher: Elsevier BV
Date: 08-2014
Publisher: Elsevier BV
Date: 07-2020
Publisher: IOP Publishing
Date: 17-06-2014
DOI: 10.1088/0953-8984/26/27/276003
Abstract: We have experimentally investigated the effects of pressure on the magnetoelastic transitions associated with the opening of spin-gaps in Ba3BiIr2O9 and Ba3BiRu2O9. For both compounds, reducing the unit cell volume by either external physical and internal chemical pressure was found to reduce the temperature T(*) of the transition and, to a lesser extent, the magnitude of the associated negative thermal volume expansion. The results yield the latent heat associated with the transitions, -3.34(3) × 10(2) J mol(-1) for Ba3BiIr2O9 and -7.1(5) × 10(2) J mol(-1) for Ba3BiRu2O9. The transition in Ba3BiRu2O9 is significantly more robust than in Ba3BiIr2O9, requiring an order of magnitude higher pressures to achieve the same reduction in T(*). The differing responses of the two compounds points to differences between the 4d and 5d metals and hence to the importance of spin-orbit coupling, which is expected to be much stronger in the Ir compound.
Publisher: American Chemical Society (ACS)
Date: 20-03-2023
Publisher: Elsevier BV
Date: 02-2018
Publisher: Elsevier BV
Date: 05-2011
Publisher: Wiley
Date: 24-09-2020
Publisher: American Chemical Society (ACS)
Date: 11-10-2012
DOI: 10.1021/IC301677B
Abstract: The zirconates Ln(2)Zr(2)O(7) (Ln = lanthanoid) have been studied using a combination of Zr L-edge X-ray absorption near edge structure (XANES) and synchrotron X-ray and neutron powder diffraction methods. These studies demonstrate that as the size of the lanthanoid cation decreases, the local structure evolves smoothly from the ideal pyrochlore toward the defect fluorite rather than undergoing an abrupt transformation. The Zr L-edge spectrum is found to be extremely sensitive to changes in the local coordination environment and demonstrates an increase in local disorder across the pyrochlore oxides. The sensitivity of the XANES measurements enables us to identify the progressive nature of the transition that could not be detected using bulk diffraction techniques.
Publisher: American Chemical Society (ACS)
Date: 05-08-2009
DOI: 10.1021/CM901644E
Publisher: American Physical Society (APS)
Date: 15-12-2011
Publisher: CSIRO Publishing
Date: 2014
DOI: 10.1071/CH14358
Abstract: We show that large single crystals of brownmillerite-type Ca2Fe2O5 can be grown using the floating-zone method under ambient pressure conditions, provided that the feed rods are pre-annealed to a very high density. Neutron diffraction data collected from these crystals show the emergence of a long-range ordered incommensurate phase at high temperature. The observation of this phase for the first time using neutrons proves that the incommensurate ordering of tetrahedral chains upon heating Ca2Fe2O5 is a truly long-range and bulk phenomenon. The results are used to compare and contrast the structures of Ca2Fe2O5 and Sr2Fe2O5, and are consistent with experimental observations of significantly higher oxide ionic conduction in the latter material.
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C3DT53406E
Abstract: The structural, magnetic and electrical properties of the mixed Ti–Mn oxides Sr 1−x La x Ti 0.5 Mn 0.5 O 3 (0 ≤ x ≤ 0.5) are reported.
Publisher: Royal Society of Chemistry (RSC)
Date: 2023
DOI: 10.1039/D3PY00194F
Abstract: Polymer brush-grafted cellulose nanocrystals can be used as rod-like nanoreactors to produce carbon-coated titania nanocomposites for battery anodes.
Publisher: American Physical Society (APS)
Date: 11-2016
Publisher: American Chemical Society (ACS)
Date: 16-12-2013
DOI: 10.1021/IC402294G
Abstract: The title compounds were synthesized by a hydrothermal route from a 1:1 molar ratio of lithium fluoride and transition-metal acetate in an excess of water. The crystal structures were determined using a combination of powder and/or single-crystal X-ray and neutron powder diffraction (NPD) measurements. The magnetic structure and properties of Co(OH)F were characterized by magnetic susceptibility and low-temperature NPD measurements. M(OH)F (M = Fe and Co) crystallizes with structures related to diaspore-type α-AlOOH, with the Pnma space group, Z = 4, a = 10.471(3) Å, b = 3.2059(10) Å, and c = 4.6977(14) Å and a = 10.2753(3) Å, b = 3.11813(7) Å, and c = 4.68437(14) Å for the iron and cobalt phases, respectively. The structures consist of double chains of edge-sharing M(F,O)6 octahedra running along the b axis. These infinite chains share corners and give rise to channels. The protons are located in the channels and form O-H···F bent hydrogen bonds. The magnetic susceptibility indicates an antiferromagnetic ordering at ∼40 K, and the NPD measurements at 3 K show that the ferromagnetic rutile-type chains with spins parallel to the short b axis are antiferromagnetically coupled to each other, similarly to the magnetic structure of goethite α-FeOOH.
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2CE00240J
Abstract: Regular detection of blood glucose levels is a critical indicator for effective diabetes management.
Publisher: American Chemical Society (ACS)
Date: 14-07-2010
DOI: 10.1021/CM101324N
Publisher: American Chemical Society (ACS)
Date: 22-01-2016
DOI: 10.1021/ACS.INORGCHEM.5B01913
Abstract: A new bismuth-containing layered perovskite of the Ruddlesden-Popper type, K(2.5)Bi(2.5)Ti4O13, has been prepared by solid-state synthesis. It has been shown to hydrate to form stoichiometric K(2.5)Bi(2.5)Ti4O13·H2O. Diffraction data show that the structure consists of a quadruple-stacked (n = 4) perovskite layer, with potassium ions occupying the rock salt layer and its next-nearest A site. The hydrated s le was shown to remove the offset between stacked perovskite layers relative to the dehydrated s le. Computational methods show that the hydrated phase consists of intact H2O molecules in a vertical "pillared" arrangement bridging across the interlayer space. Rotations of H2O molecules about the c axis were evident in molecular dynamic calculations, which increased in rotation angle with increasing temperature. In situ diffraction data for the dehydrated phase point to a broad structural phase transition from orthorhombic to tetragonal at ∼600 °C. The relative bismuth-rich composition in the perovskite block results in a higher transition temperature compared to related perovskite structures. Water makes a significant contribution to the dielectric constant, which disappears after dehydration.
Publisher: Elsevier BV
Date: 05-2014
Publisher: Wiley
Date: 23-12-2018
DOI: 10.1002/POLA.29312
Publisher: IOP Publishing
Date: 11-2010
Publisher: American Chemical Society (ACS)
Date: 26-12-2013
DOI: 10.1021/IC402513D
Abstract: The magnetic structure and properties of sodium iron fluorophosphate Na2FePO4F (space group Pbcn), a cathode material for rechargeable batteries, were studied using magnetometry and neutron powder diffraction. The material, which can be described as a quasi-layered structure with zigzag Fe-octahedral chains, develops a long-range antiferromagnetic order below ∼3.4 K. The magnetic structure is rationalized as a super-exchange-driven ferromagnetic ordering of chains running along the a-axis, coupled antiferromagnetically by super-super-exchange via phosphate groups along the c-axis, with ordering along the b-axis likely due to the contribution of dipole-dipole interactions.
Publisher: International Union of Crystallography (IUCr)
Date: 14-03-2008
DOI: 10.1107/S0108768108005041
Abstract: The structures of the 6 H perovskites Ba 3 B 2+ Sb 5+ 2 O 9 , B = Ca and Sr, have been solved and refined using synchrotron X-ray and neutron powder diffraction data. Ba 3 CaSb 2 O 9 and Ba 3 SrSb 2 O 9 have monoclinic C 2/ c and triclinic P\\bar 1 space-group symmetries, respectively, while Ba 3 MgSb 2 O 9 has ideal hexagonal P 6 3 / mmc space-group symmetry. The symmetry-lowering distortions are a consequence of internal `chemical pressure' owing to the increasing effective ionic radius of the alkaline-earth cation in the perovskite B site from Mg 2+ (0.72 Å) to Ca 2+ (1.00 Å) to Sr 2+ (1.18 Å). Increasing the effective ionic radius further to Ba 2+ (1.35 Å) leads to decomposition at room temperature. The driving force behind the transition from P 6 3 / mmc to C 2/ c is the need to alleviate underbonding of Ba 2+ cations in the perovskite A site via octahedral rotations, while the transition from C 2/ c to P\\bar 1 is driven by the need to regularize the shape of the Sb 2 O 9 face-sharing octahedral dimers. Ab initio geometry-optimization calculations were used to find a triclinic starting model for Ba 3 SrSb 2 O 9 .
Publisher: American Chemical Society (ACS)
Date: 23-08-2019
DOI: 10.1021/ACS.INORGCHEM.9B01846
Abstract: The room-temperature structure of brownmillerite-type Sr
Publisher: American Chemical Society (ACS)
Date: 06-02-2012
DOI: 10.1021/JA211517H
Publisher: American Physical Society (APS)
Date: 15-11-2017
Publisher: Elsevier BV
Date: 2015
Publisher: Elsevier BV
Date: 09-2013
Publisher: American Chemical Society (ACS)
Date: 16-10-2017
Publisher: Springer Science and Business Media LLC
Date: 04-11-2010
Publisher: American Chemical Society (ACS)
Date: 18-12-2009
DOI: 10.1021/CM903170T
Publisher: Elsevier BV
Date: 2021
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7DT00978J
Abstract: The magnetic structure and properties of K 2 CoP 2 O 7 were studied by magnetometry and neutron powder diffraction. Below 11 K the material adopts a G-type antiferromagnetic structure in contrast to the melilite-type Sr 2 CoGe 2 O 7 which orders in a C-type. Ab initio DFT calculations were performed to understand this difference.
Publisher: American Chemical Society (ACS)
Date: 22-07-2019
Publisher: American Chemical Society (ACS)
Date: 29-07-2013
DOI: 10.1021/CM4014656
Publisher: American Chemical Society (ACS)
Date: 06-03-2019
DOI: 10.1021/ACS.INORGCHEM.8B03195
Abstract: Melilite-type Ba
Publisher: International Union of Crystallography (IUCr)
Date: 12-1997
DOI: 10.1107/S0108768197007787
Abstract: The structures of the layered intergrowth phases Sb III Sb^{\\rm V}_x A l-xTiO 6 ( x \\simeq 0, A = Ta, Nb) have been refined by the Rietveld method, using X-ray diffraction data obtained using a synchrotron source. The starting models for these structures were derived from those of Sb^{\\rm III}_3Sb^{\\rm V}_x A 3−x TiO 14 ( x = 1.26, A = Ta and x = 0.89, A = Nb), previously solved by single-crystal X-ray diffraction. There were no significant differences between the derived models and the final structures, validating the approach used to obtain the models and confirming that the n = 1 and n = 3 members of the family, Sb^{\\rm III}_nSb^{\\rm V}_x A n−x TiO 4 n +2 are part of a structurally homologous series.
Publisher: Elsevier BV
Date: 2017
Publisher: Elsevier BV
Date: 11-2018
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4DT02520B
Abstract: The phase transformation in the (Bi 0.5 Na 0.5 )Ti 1−x Zr x O 3 are characterized using XRD and XANES.
Publisher: American Chemical Society (ACS)
Date: 08-11-2019
Publisher: American Chemical Society (ACS)
Date: 31-01-2011
DOI: 10.1021/CM1034003
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8CC09608B
Abstract: Unit cell volume collapse in Ba 2 BiRuO 6 , Ba 2 BiIrO 6 and Ba 2 BiOsO 6 when Bi( iii ) is oxidised to Bi( v ) by external applied pressure.
Publisher: Elsevier BV
Date: 11-2016
Publisher: Elsevier BV
Date: 05-2022
Publisher: Elsevier BV
Date: 06-2009
Publisher: American Chemical Society (ACS)
Date: 04-10-2019
DOI: 10.1021/ACS.INORGCHEM.9B01708
Abstract: Li
Publisher: Wiley
Date: 07-2020
Publisher: American Chemical Society (ACS)
Date: 03-03-2020
Publisher: Wiley
Date: 06-07-2020
Publisher: IOP Publishing
Date: 06-12-2007
Publisher: International Union of Crystallography (IUCr)
Date: 10-2014
DOI: 10.1107/S1600577514014891
Abstract: Tc L 3 -edge XANES spectra have been collected on powder s les of SrTcO 3 (octahedral Tc 4+ ) and NH 4 TcO 4 (tetrahedral Tc 7+ ) immobilized in an epoxy resin. Features in the Tc L 3 -edge XANES spectra are compared with the pre-edge feature of the Tc K -edge as well as other 4 d transition metal L 3 -edges. Evidence of crystal field splitting is obvious in the Tc L 3 -edge, which is sensitive to the coordination number and oxidation state of the Tc cation. The Tc L 3 absorption edge energy difference between SrTcO 3 (Tc 4+ ) and NH 4 TcO 4 (Tc 7+ ) shows that the energy shift at the Tc L 3 -edge is an effective tool for studying changes in the oxidation states of technetium compounds. The Tc L 3 -edge spectra are compared with those obtained from Mo and Ru oxide standards with various oxidation states and coordination environments. Most importantly, fitting the Tc L 3 -edge to component peaks can provide direct evidence of crystal field splitting that cannot be obtained from the Tc K -edge.
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C2DT30739A
Abstract: The new compound LiNaFe[PO(4)]F was synthesized by a solid state reaction route, and its crystal structure was determined using neutron powder diffraction data. LiNaFe[PO(4)]F was characterized by (57)Fe Mössbauer spectroscopy, magnetic susceptibility, specific heat capacity, and electrochemical measurements. LiNaFe[PO(4)]F crystallizes with orthorhombic symmetry, space group Pnma, with a = 10.9568(6) Å, b = 6.3959(3) Å, c = 11.4400(7) Å, V = 801.7(1) Å(3) and Z = 8. The structure consists of edge-sharing FeO(4)F(2) octahedra forming FeFO(3) chains running along the b axis. These chains are interlinked by PO(4) tetrahedra forming a three-dimensional framework with the tunnels and the cavities filled by the well-ordered sodium and lithium atoms, respectively. The specific heat and magnetization measurements show that LiNaFe[PO(4)]F undergoes a three-dimensional antiferromagnetic ordering at T(N) = 20 K. The neutron powder diffraction measurements at 3 K show that each FeFO(3) chain along the b-direction is ferromagnetic (FM), while these FM chains are antiferromagnetically coupled along the a and c-directions with a non-collinear spin arrangement. The galvanometric cycling showed that without any optimization, one mole of alkali metal is extractable between 1.0 V and 5.0 V vs. Li(+)/Li with a discharge capacity between 135 and 145 mAh g(-1).
Publisher: Elsevier BV
Date: 2007
Publisher: American Chemical Society (ACS)
Date: 11-07-2013
DOI: 10.1021/IC400870X
Abstract: The magnetic structure and properties of polycrystalline NaFePO4 polymorphs, maricite and triphylite, both derived from the olivine structure type, have been investigated using magnetic susceptibility, heat capacity, and low-temperature neutron powder diffraction. These NaFePO4 polymorphs assume orthorhombic frameworks (space group No. 62, Pnma), built from FeO6 octahedral and PO4 tetrahedral units having corner-sharing and edge-sharing arrangements. Both polymorphs demonstrate antiferromagnetic ordering below 13 K for maricite and 50 K for triphylite. The magnetic structure and properties are discussed considering super- and supersuperexchange interactions in comparison to those of triphylite-LiFePO4.
Publisher: Elsevier BV
Date: 04-1998
Publisher: Elsevier BV
Date: 09-2009
Publisher: American Chemical Society (ACS)
Date: 20-04-2023
Publisher: American Chemical Society (ACS)
Date: 09-09-2021
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3CP50740H
Abstract: The new compound MnF(2-x)(OH)x (x ~ 0.8) was synthesized by a hydrothermal route from a 1 : 1 molar ratio of lithium fluoride and manganese acetate in an excess of water. The crystal structure was determined using the combination of single crystal X-ray and neutron powder diffraction measurements. The magnetic properties of the title compound were characterized by magnetic susceptibility and low-temperature neutron powder diffraction measurements. MnF(2-x)(OH)x (x ~ 0.8) crystallizes with orthorhombic symmetry, space group Pnn2 (no. 34), a = 4.7127(18), b = 5.203(2), c = 3.2439(13) Å, V = 79.54(5) Å(3) and Z = 2. The crystal structure is a distorted rutile-type with [Mn(F,O)4] infinite edge-sharing chains along the c-direction. The protons are located in the channels and form O-HF bent hydrogen bonds. The magnetic susceptibility measurements indicate an antiferromagnetic ordering at ~70 K and the neutron powder diffraction measurements at 3 K show that the ferromagnetic chains with spins parallel to the c-axis are antiferromagnetically coupled to each other, similarly to the magnetic structure of tetragonal rutile-type MnF2 with isoelectronic Mn(2+). MnF(2-x)(OH)x (x ~ 0.8) is expected to be of great interest as a positive electrode for Li cells if the protons could be exchanged for lithium.
Publisher: Royal Society of Chemistry (RSC)
Date: 2022
DOI: 10.1039/D2TA02328H
Abstract: Extensive diffuse scatter observed by single crystal neutron diffraction was modelled to gain insight into structural distortions in apatite-type lanthanum silicate.
Publisher: International Union of Crystallography (IUCr)
Date: 26-02-2010
DOI: 10.1107/S0108768110001874
Abstract: Single crystals of composition Bi 35.66 W 4.34 O 66.51 (or Bi 8.2 WO 15.3 , bismuth tungsten oxide), within the type (Ib) solid-solution region of the Bi 2 O 3 –WO 3 system, were synthesized using the floating-zone furnace method. Synchrotron X-ray and neutron single-crystal diffraction data were used to confirm the previously tentative assignment of the room-temperature space group as I 4 1 . Fourier analysis of the combined X-ray and neutron datasets was used to elucidate and refine fully the cation and anion arrays for the first time. The mixed cation site M 1 is shown to be coordinated by eight O atoms in an irregular cube when M = Bi, and by six O atoms in an octahedron when M = W. The resulting disorder in the average structure around M 1 is discussed in the context of experimentally observed oxide-ion conductivity.
Publisher: American Chemical Society (ACS)
Date: 18-04-2013
DOI: 10.1021/JA3109328
Abstract: The high-temperature cubic form of bismuth oxide, δ-Bi2O3, is the best intermediate-temperature oxide-ionic conductor known. The most elegant way of stabilizing δ-Bi2O3 to room temperature, while preserving a large part of its conductivity, is by doping with higher valent transition metals to create wide solid-solutions fields with exceedingly rare and complex (3 + 3)-dimensional incommensurately modulated "hypercubic" structures. These materials remain poorly understood because no such structure has ever been quantitatively solved and refined, due to both the complexity of the problem and a lack of adequate experimental data. We have addressed this by growing a large (centimeter scale) crystal using a novel refluxing floating-zone method, collecting high-quality single-crystal neutron diffraction data, and treating its structure together with X-ray diffraction data within the superspace symmetry formalism. The structure can be understood as an "inflated" pyrochlore, in which corner-connected NbO6 octahedral chains move smoothly apart to accommodate the solid solution. While some oxide vacancies are ordered into these chains, the rest are distributed throughout a continuous three-dimensional network of wide δ-Bi2O3-like channels, explaining the high oxide-ionic conductivity compared to commensurately modulated phases in the same pseudobinary system.
Publisher: Elsevier BV
Date: 10-2017
Publisher: International Union of Crystallography (IUCr)
Date: 12-2015
DOI: 10.1107/S2052520615018351
Abstract: The Type II phase in the Bi 1 − x W x O 1.5 + 1.5 x system is shown to have a (3 + 3)-dimensional modulated δ-Bi 2 O 3 -related structure, in which the modulation vector ∊ `locks in' to a commensurate value of 1/3. The structure was refined in a 3 × 3 × 3 supercell against single-crystal Laue neutron diffraction data. Ab initio calculations were used to test and optimize the local structure of the oxygen sublattice around a single mixed Bi/W site. The underlying crystal chemistry was shown to be essentially the same as for the recently refined (3 + 3)-dimensional modulated structure of Type II Bi 1 − x Nb x O 1.5 + x (Ling et al. , 2013), based on a transition from fluorite-type to pyrochlore-type via the appearance of W 4 O 18 `tetrahedra of octahedra' and chains of corner-sharing WO 6 octahedra along 〈110〉 F directions. The full range of occupancies on this mixed Bi/W site give a hypothetical solid-solution range bounded by Bi 23 W 4 O 46.5 ( x = 0.148) and Bi 22 W 5 O 48 ( x = 0.185), consistent with previous reports and with our own synthetic and analytical results.
Publisher: Elsevier BV
Date: 10-2011
Publisher: International Union of Crystallography (IUCr)
Date: 30-01-2015
DOI: 10.1107/S1600576714027976
Abstract: The atomic and magnetic structure of brownmillerite Ca 2 Fe 2 O 5 has been refined against single-crystal neutron Laue diffraction data collected at 300, 100 and 10 K under zero-field and low-magnetic field (35 Oe = 35 × 10 3 /4π A m −1 ) conditions. Ca 2 Fe 2 O 5 is a canted G-type antiferromagnet with Pcm ′ n ′ symmetry, the magnetic moments on Fe being directed approximately along the crystallographic c axis at room temperature. The refinement results show clearly that this magnetic structure persists down to T = 10 K, despite a previous suggestion that an anomalous magnetic susceptibility enhancement observed in Ca 2 Fe 2 O 5 single crystals between 40 and 140 K might signify a reorientation of the antiferromagnetic easy axis from c to a below 40 K. Alternative explanations for this susceptibility anomaly are considered in terms of the evidence for partial or short-range loss of order in the anomalous regime, possibly due to the presence of multiple competing sublattice interactions.
Publisher: American Chemical Society (ACS)
Date: 24-02-2005
Publisher: American Chemical Society (ACS)
Date: 26-03-2020
Publisher: International Union of Crystallography (IUCr)
Date: 08-1996
DOI: 10.1107/S0108768196003813
Abstract: The structure of Sb 2 WO 6 [ M r = 523.4, triclinic, F {\bar 1}, a = 11.132 (1), b = 9.896 (4), c = 18.482 (7) Å, α = 90.20 (4), β 96.87 (8), γ = 90.21 (5)°, D x = 6.88 g cm −3 , Z = 16, Mo K α, λ = 0.7107 Å, μ = 338.5 cm −1 , F (000) = 3536] has been refined as an enlarged 2 a × 2 b × 2 c F -centred superstructure of the previously reported structure [Castro, Millan, Enjalbert, Snoeck & Galy (1994). Mat. Res. Bull. 29 , 871–879] refined in the space group P 1. The re-refinement follows the observation, initially by TEM, of satellite reflections at G ± ½(111)*, where G represents a reflection of the P 1 reciprocal lattice. A final value of 0.040 for R 1 = Σ h || F obs ( h )| − | F calc ( h )||/Σ h || F obs ( h )| was obtained for 3316 merged reflections with I ( h ) 3 σ [ I ( h )], compared with R 1 = 0.12 for the previous refinement. The refined structure is described in terms of an antiferroelectric modulation of a P 12 1 / a 1 underlying parent structure in the original setting. Twinning of the crystal was successfully modelled in the refinement. Synthesis of the previously unknown phase Sb 2 MoO 6 [ M r = 435.5, triclinic, F {\bar 1}, a = 10.758 (1), b = 9.673 (2), c = 17.57 (1) Å, α = 90.00 (5), β = 96.98 (3), γ = 90.05 (2)°, Z = 16, D x = 4.97 g cm −3 ] is also reported, along with evidence for its isostructuralism with Sb 2 WO 6 .
Publisher: Elsevier BV
Date: 1999
Publisher: American Chemical Society (ACS)
Date: 23-02-2023
Publisher: American Chemical Society (ACS)
Date: 06-2020
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7DT00975E
Abstract: Polycrystalline s les in the solid solution ZrMn 2−x Co x Ge 4 O 12 ( x = 0.0, 0.5, 1.0, 1.5 and 2.0) have been prepared using the ceramic method and characterised by a combination of magnetometry, X-ray diffraction and neutron diffraction.
Publisher: American Chemical Society (ACS)
Date: 20-06-2013
DOI: 10.1021/JP403592S
Publisher: American Chemical Society (ACS)
Date: 10-10-2012
DOI: 10.1021/CM302342V
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8DT04858D
Abstract: A simple copper–bipyridine complex can be used in the direct capture of atmospheric CO 2 for synthesis of a useful/complex material, under appropriate reaction conditions.
Publisher: American Chemical Society (ACS)
Date: 25-01-2013
DOI: 10.1021/JP311329Q
Publisher: Elsevier BV
Date: 08-1996
Publisher: American Physical Society (APS)
Date: 20-07-2022
Publisher: Elsevier BV
Date: 03-2013
Publisher: American Chemical Society (ACS)
Date: 18-08-2020
Publisher: Elsevier BV
Date: 10-2012
Publisher: Elsevier BV
Date: 10-2020
Publisher: American Chemical Society (ACS)
Date: 11-07-2013
DOI: 10.1021/IC4009703
Abstract: The pyrochlore-defect fluorite order-disorder transition has been studied for a series of oxides of the type Gd(2-x)Tb(x)Zr2O7 by a combination of diffraction and spectroscopy techniques. Synchrotron X-ray diffraction data suggest an abrupt transition from the coexistence of pyrochlore and defect fluorite phases to a single defect fluorite phase with increasing Tb content. However neutron diffraction data, obtained at λ ≈ 0.497 Å for all Gd-containing s les to minimize absorption, not only provide evidence for independent ordering of the anion and cation sublattices but also suggest that the disorder transition across the pyrochlore-defect fluorite boundary of Ln2Zr2O7 is rather gradual. Such disorder was also evident in X-ray absorption measurements at the Zr L3-edge, which showed a gradual increase in the effective coordination number of the Zr from near 6-coordinate in the pyrochlore rich s les to near 7-coordinate in the Tb rich defect fluorites. These results indicate the presence of ordered domains throughout the defect fluorite region, and demonstrate the gradual nature of the order-disorder transition across the Gd(2-x)Tb(x)Zr2O7 series.
Publisher: Elsevier BV
Date: 03-2014
Publisher: American Chemical Society (ACS)
Date: 24-01-2022
Publisher: Walter de Gruyter GmbH
Date: 05-1999
DOI: 10.1524/ZKRI.1999.214.5.296
Abstract: Superspace group symmetry is used to parameterize the compositional and displacive degrees of freedom associated with the complex, three-dimensional incommensurately modulated (1 − x )Bi 2 O 3 · x Nb 2 O 5 , 0.06 x 0.23, type II solid solution. The metal and oxygen ion Atomic Modulation Functions are shown to be closely related to the so-called D Periodic Nodal Surface. The structural consequences of this shape for real three-dimensional physical space are spelt out and used to test the structural plausibility of previously proposed structural models.
Publisher: Elsevier BV
Date: 10-2018
Publisher: Elsevier BV
Date: 03-2009
Publisher: International Union of Crystallography (IUCr)
Date: 06-1999
DOI: 10.1107/S0108768198014268
Abstract: Single-crystal X-ray diffraction data [synchrotron radiation λ = 1.2682 (4) Å] are used to solve and refine the crystal structure of heptacalcium hexatantalum heptazirconium hexatriacontaoxide, Ca 7 Zr 7 Ta 6 O 36 . The structure adopts space group Fddd with cell dimensions a = 36.394 (1), b = 7.3674 (5), c = 31.006 (2) Å. The structure was solved by direct methods. Refinement using 1299 unique reflections leads to final values of R = 0.031 and wR = 0.034. The refined metal-atom ordering scheme is far from fully ordered and reminiscent of the A / B metal-atom ordering characteristic of the pyrochlore structure type. Bond-valence sums are calculated to confirm the plausibility of the crystal chemistry of Ca 7 Zr 7 Ta 6 O 36 .
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5CP01723H
Abstract: Rigid unit modes are shown to be dynamic within the AlPO 4 -5 structure down to low temperatures where the static time-averaged structure cannot provide a true physical solution.
Publisher: Elsevier BV
Date: 03-2010
Publisher: American Physical Society (APS)
Date: 19-03-2012
Publisher: CSIRO Publishing
Date: 2014
DOI: 10.1071/CH14389
Abstract: A new 6H-type perovskite Ba3Fe2SbO9 has been synthesised for the first time. Synchrotron and neutron powder diffraction data reveal complete structural disorder between Sb and Fe in the octahedral perovskite B sites. This results in classical spin-glass behaviour, which we characterise using magnetic susceptibility, magnetisation, and heat capacity measurements, although some evidence is seen for a transition to a partially ordered spin-glass like state below 24 K. The behaviour of Ba3Fe2SbO9 is compared with that of the 6H-type perovskite Ba3Fe2WO9, which displays antiferromagnetic character below TN = 290 K before entering a glassy state below Tf = 60 K. Differences between the magnetism in these two phases are discussed in terms of the complete structural disorder between the Fe and Sb ions in the former case, versus partial disorder (limited to the distribution and local orientation of Fe–W and Fe–Fe dimer units) in the latter.
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3DT51420J
Abstract: The pyrochlore-defect fluorite phase transition in the mixed-metal zirconate Nd2-xYxZr2O7 (0 ≤ x ≤ 2) solid solution was investigated using synchrotron X-ray and neutron diffraction, as well as X-ray absorption spectroscopy. Diffraction analysis revealed a two-phase region between 1.0 ≤ x ≤ 1.2. In the pyrochlore phase, Zr L3-edge XANES analysis demonstrated a gradual change in the local coordination environment of the B site with increasing Y content that was consistent with an increase in disorder. Although Y L3-edge XANES analysis suggested that the Y cations remained in an ordered coordination environment in the pyrochlore phase, disorder did gradually increase once the fluorite phase formed. It was found that Y cations prefer an ordered coordination environment near the phase boundary whereas Zr cations prefer a disordered coordination environment.
Publisher: Elsevier BV
Date: 11-2021
Publisher: American Chemical Society (ACS)
Date: 12-12-2014
DOI: 10.1021/CM5035358
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C4DT03866E
Abstract: Synchrotron X-ray powder diffraction patterns of K 0.5 Bi 0.5 Ti 1−x Zr x O 3 (KBT-KBZ), showing the pseudocubic tetragonal region at all intermediate compositions in the solid-solution.
Publisher: Wiley
Date: 20-03-2020
Abstract: In this work, a latent energy-transfer process in traditional Eu
Publisher: American Physical Society (APS)
Date: 07-2002
Publisher: Elsevier BV
Date: 10-2014
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C8CE01532E
Abstract: We demonstrate that K addition to P2-Na 0.7 Mn 0.8 Mg 0.2 O 2 results in an inhomogeneous distribution and leads to inferior electrochemical performance relative to the parent.
Publisher: American Chemical Society (ACS)
Date: 10-02-2021
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0TA06600A
Abstract: This research work reveals a fully desodiated phase, which might lead to higher voltage/capacity for sodium ion battery.
Publisher: American Chemical Society (ACS)
Date: 16-05-2017
Abstract: Understanding the short-range molecular motions of organic ionic plastic crystals is critical for the application of these materials as solid-state electrolytes in electrochemical devices such as lithium batteries. However, the theory of short-range-motions was originally developed for simple molecular plastic crystals and does not take account of strong interionic interactions that are present in organic ionic plastic crystals. Here we report a fundamental investigation of the dynamic behavior of an archetypal ex le triethyl(methyl)phosphonium bis(fluorosulfonyl)amide ([P
Publisher: American Chemical Society (ACS)
Date: 22-07-2013
DOI: 10.1021/CM401278M
Publisher: American Chemical Society (ACS)
Date: 02-05-2018
Location: United Kingdom of Great Britain and Northern Ireland
Start Date: 04-2011
End Date: 10-2014
Amount: $480,000.00
Funder: Australian Research Council
View Funded ActivityStart Date: 11-2006
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Amount: $210,000.00
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Amount: $670,000.00
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Amount: $449,492.00
Funder: Australian Research Council
View Funded ActivityStart Date: 2015
End Date: 12-2018
Amount: $544,700.00
Funder: Australian Research Council
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End Date: 04-2009
Amount: $750,000.00
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Amount: $280,000.00
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Amount: $295,000.00
Funder: Australian Research Council
View Funded ActivityStart Date: 03-2006
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Amount: $175,000.00
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Amount: $180,000.00
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Amount: $390,000.00
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Amount: $375,000.00
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