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  1. Article ; Online: Using applied pressure to guide materials design: a neutron diffraction study of La

    Bull, Craig L / Ridley, Christopher J / Playford, Helen Y

    Dalton transactions (Cambridge, England : 2003)

    2020  Volume 49, Issue 30, Page(s) 10631–10637

    Abstract: The compression behaviours of La2NiO4+δ and Pr2NiO4+δ have been studied up to a pressure of 2.8 and 2.2 GPa respectively. Using neutron diffraction, the mechanism of compression, and the behaviour of the NiO6 and La/PrO9 polyhedra in these layered ... ...

    Abstract The compression behaviours of La2NiO4+δ and Pr2NiO4+δ have been studied up to a pressure of 2.8 and 2.2 GPa respectively. Using neutron diffraction, the mechanism of compression, and the behaviour of the NiO6 and La/PrO9 polyhedra in these layered perovskite materials have been determined. Their compression mechanisms have then been compared to related materials (La2-xPrxNiO4, Pr2-xNdxNiO4, La2-xSrxNiO4 and Pr2-xCaxNiO4) where the unit-cell volume has been reduced by controlling the composition (x), which acts as an 'effective chemical pressure'. Understanding the effects of both has implications for materials design; pressure can be used to finely tune a property, which theoretically may then be emulated using chemical doping.
    Language English
    Publishing date 2020-07-22
    Publishing country England
    Document type Journal Article
    ZDB-ID 1472887-4
    ISSN 1477-9234 ; 1364-5447 ; 0300-9246 ; 1477-9226
    ISSN (online) 1477-9234 ; 1364-5447
    ISSN 0300-9246 ; 1477-9226
    DOI 10.1039/d0dt02155e
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Nanostructured Niobium and Titanium Carbonitrides as Electrocatalyst Supports.

    McLeod, Lucy K / Spikes, Geoffrey H / Zalitis, Christopher M / Rigg, Katie M / Walker, Marc / Playford, Helen Y / Sharman, Jonathan D B / Walton, Richard I

    ACS applied nano materials

    2024  Volume 7, Issue 9, Page(s) 10120–10129

    Abstract: Nanostructured niobium-titanium carbonitrides, (Nb,Ti) ... ...

    Abstract Nanostructured niobium-titanium carbonitrides, (Nb,Ti)C
    Language English
    Publishing date 2024-04-24
    Publishing country United States
    Document type Journal Article
    ISSN 2574-0970
    ISSN (online) 2574-0970
    DOI 10.1021/acsanm.4c00503
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Structure, Spin Correlations, and Magnetism of the

    Mustonen, Otto H J / Fogh, Ellen / Paddison, Joseph A M / Mangin-Thro, Lucile / Hansen, Thomas / Playford, Helen Y / Diaz-Lopez, Maria / Babkevich, Peter / Vasala, Sami / Karppinen, Maarit / Cussen, Edmund J / Ro Nnow, Henrik M / Walker, Helen C

    Chemistry of materials : a publication of the American Chemical Society

    2023  Volume 36, Issue 1, Page(s) 501–513

    Abstract: Quantum spin liquids are highly entangled magnetic states with exotic properties. ... ...

    Abstract Quantum spin liquids are highly entangled magnetic states with exotic properties. The
    Language English
    Publishing date 2023-12-25
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1500399-1
    ISSN 1520-5002 ; 0897-4756
    ISSN (online) 1520-5002
    ISSN 0897-4756
    DOI 10.1021/acs.chemmater.3c02535
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article: Structural Disorder in (Bi, M)2(Fe, Mn, Bi)2O6+x (M = Na or K) Pyrochlores Seen from Reverse Monte Carlo Analysis of Neutron Total Scattering

    Daniels, Luke M / Hannon Alex C / Playford Helen Y / Walton Richard I

    The Journal of Physical Chemistry C. 2017 Aug. 24, v. 121, no. 33

    2017  

    Abstract: The average structures of the polycrystalline pyrochlores (Na0.60Bi1.40)(Fe1.06Mn0.17Bi0.77)O6.87 and (K0.24Bi1.51)(Fe1.07Mn0.15Bi0.78)O6.86 can be refined through Rietveld refinement against Bragg scattering data using cubic space group Fd3̅m, with off- ... ...

    Abstract The average structures of the polycrystalline pyrochlores (Na0.60Bi1.40)(Fe1.06Mn0.17Bi0.77)O6.87 and (K0.24Bi1.51)(Fe1.07Mn0.15Bi0.78)O6.86 can be refined through Rietveld refinement against Bragg scattering data using cubic space group Fd3̅m, with off-centered 96h and 32e positions describing the A2O′ network. Investigation of their local structures through neutron total scattering confirms the extent of disorder within these materials, and furthermore shows significant deviation from the average structure, which is not accounted for through analysis of Bragg data alone. Reverse Monte Carlo (RMC) analysis with a 6 × 6 × 6 supercell was used to model accurately this local disorder, revealing ellipsoidal distributions for A-site potassium, distinctly different from the hollow torus-shaped distributions for the sodium and bismuth cations. It is shown through bond valence sum analysis that while these atomic displacements allow for the steric preferences of Bi3+, they are also necessary to satisfy the valence of both the bismuth and the alkali metals on the A sites. Analysis of the final RMC configuration showed the BO6 octahedra for the separate B site metals to be more regular (O–B–O ≈ 90°) than those in the Rietveld model (O–B–O ≈ 85/95°) which describes an average of the three different environments.
    Keywords bismuth ; cations ; geometry ; iron ; manganese ; models ; Monte Carlo method ; neutrons ; physical chemistry ; potassium ; sodium
    Language English
    Dates of publication 2017-0824
    Size p. 18120-18128.
    Publishing place American Chemical Society
    Document type Article
    ISSN 1932-7455
    DOI 10.1021%2Facs.jpcc.7b04972
    Database NAL-Catalogue (AGRICOLA)

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  5. Article ; Online: Spin-ice physics in cadmium cyanide.

    Coates, Chloe S / Baise, Mia / Schmutzler, Adrian / Simonov, Arkadiy / Makepeace, Joshua W / Seel, Andrew G / Smith, Ronald I / Playford, Helen Y / Keen, David A / Siegel, Renée / Senker, Jürgen / Slater, Ben / Goodwin, Andrew L

    Nature communications

    2021  Volume 12, Issue 1, Page(s) 2272

    Abstract: Spin-ices are frustrated magnets that support a particularly rich variety of emergent physics. Typically, it is the interplay of magnetic dipole interactions, spin anisotropy, and geometric frustration on the pyrochlore lattice that drives spin-ice ... ...

    Abstract Spin-ices are frustrated magnets that support a particularly rich variety of emergent physics. Typically, it is the interplay of magnetic dipole interactions, spin anisotropy, and geometric frustration on the pyrochlore lattice that drives spin-ice formation. The relevant physics occurs at temperatures commensurate with the magnetic interaction strength, which for most systems is 1-5 K. Here, we show that non-magnetic cadmium cyanide, Cd(CN)
    Language English
    Publishing date 2021-04-15
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-021-22515-3
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Book ; Online: Origin of the large entropy change in the molecular caloric and ferroelectric ammonium sulfate

    Meijer, Bernet E. / Yuan, Shurong / Cai, Guanqun / Dixey, Richard J. / Demmel, Franz / Dove, Martin T. / Liu, Jiaxun / Playford, Helen Y. / Walker, Helen C. / Phillips, Anthony E.

    2022  

    Abstract: The deceptively simple inorganic salt ammonium sulfate undergoes a ferroelectric phase transition associated with a very large entropy change and both electrocaloric and barocaloric functionality. While the structural origins of the electrical ... ...

    Abstract The deceptively simple inorganic salt ammonium sulfate undergoes a ferroelectric phase transition associated with a very large entropy change and both electrocaloric and barocaloric functionality. While the structural origins of the electrical polarisation are now well established, those of the entropy change have been controversial for over fifty years. This question is resolved here using a combination of DFT phonon calculations with inelastic neutron scattering under variable temperature and pressure, supported by complementary total and quasielastic neutron scattering experiments. A simple model of the entropy in which each molecular ion is disordered across the mirror plane in the high symmetry phase, although widely used in the literature, proves to be untenable. Instead, the entropy arises from low-frequency librations of ammonium ions in this phase, with harmonic terms that are very small or even negative. These results suggest that, in the search for molecular materials with functionality derived from large entropy changes, vibrational entropy arising from broad energy minima is likely to be just as important as configurational entropy arising from crystallographic disorder.

    Comment: 18 pages, 6 figures
    Keywords Condensed Matter - Materials Science
    Subject code 541
    Publishing date 2022-01-07
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; Online: Pair Distribution Function Analysis of Structural Disorder by Nb

    Hiley, Craig I / Playford, Helen Y / Fisher, Janet M / Felix, Noelia Cortes / Thompsett, David / Kashtiban, Reza J / Walton, Richard I

    Journal of the American Chemical Society

    2018  Volume 140, Issue 5, Page(s) 1588–1591

    Abstract: Partial substitution of ... ...

    Abstract Partial substitution of Ce
    Language English
    Publishing date 2018--07
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 3155-0
    ISSN 1520-5126 ; 0002-7863
    ISSN (online) 1520-5126
    ISSN 0002-7863
    DOI 10.1021/jacs.7b12421
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: The Fluorite-Like Phase Nd

    Jacas Biendicho, Jordi / Playford, Helen Y / Rahman, Seikh M H / Norberg, Stefan T / Eriksson, Sten G / Hull, Stephen

    Inorganic chemistry

    2018  Volume 57, Issue 12, Page(s) 7025–7035

    Abstract: This paper describes a study of the system ... ...

    Abstract This paper describes a study of the system MoO
    Language English
    Publishing date 2018-06-18
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1484438-2
    ISSN 1520-510X ; 0020-1669
    ISSN (online) 1520-510X
    ISSN 0020-1669
    DOI 10.1021/acs.inorgchem.8b00734
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Redox Chemistry and the Role of Trapped Molecular O

    Sharpe, Ryan / House, Robert A / Clarke, Matt J / Förstermann, Dominic / Marie, John-Joseph / Cibin, Giannantonio / Zhou, Ke-Jin / Playford, Helen Y / Bruce, Peter G / Islam, M Saiful

    Journal of the American Chemical Society

    2020  Volume 142, Issue 52, Page(s) 21799–21809

    Abstract: In the search for high energy density cathodes for next-generation lithium-ion batteries, the disordered rocksalt oxyfluorides are receiving significant attention due to their high capacity and lower voltage hysteresis compared with ordered Li-rich ... ...

    Abstract In the search for high energy density cathodes for next-generation lithium-ion batteries, the disordered rocksalt oxyfluorides are receiving significant attention due to their high capacity and lower voltage hysteresis compared with ordered Li-rich layered compounds. However, a deep understanding of these phenomena and their redox chemistry remains incomplete. Using the archetypal oxyfluoride, Li
    Language English
    Publishing date 2020-12-15
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3155-0
    ISSN 1520-5126 ; 0002-7863
    ISSN (online) 1520-5126
    ISSN 0002-7863
    DOI 10.1021/jacs.0c10270
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Li

    Amores, Marco / El-Shinawi, Hany / McClelland, Innes / Yeandel, Stephen R / Baker, Peter J / Smith, Ronald I / Playford, Helen Y / Goddard, Pooja / Corr, Serena A / Cussen, Edmund J

    Nature communications

    2020  Volume 11, Issue 1, Page(s) 6392

    Abstract: Solid-state batteries are a proposed route to safely achieving high energy densities, yet this architecture faces challenges arising from interfacial issues between the electrode and solid electrolyte. Here we develop a novel family of double perovskites, ...

    Abstract Solid-state batteries are a proposed route to safely achieving high energy densities, yet this architecture faces challenges arising from interfacial issues between the electrode and solid electrolyte. Here we develop a novel family of double perovskites, Li
    Language English
    Publishing date 2020-12-15
    Publishing country England
    Document type Journal Article
    ZDB-ID 2553671-0
    ISSN 2041-1723 ; 2041-1723
    ISSN (online) 2041-1723
    ISSN 2041-1723
    DOI 10.1038/s41467-020-19815-5
    Database MEDical Literature Analysis and Retrieval System OnLINE

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