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Pressure effects on the crystal structure of the cubic metallofullerene salt [Li@C-60][PF6] to 12 GPa

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F22%3A10443284" target="_blank" >RIV/00216208:11320/22:10443284 - isvavai.cz</a>

  • Result on the web

    <a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Os2BjuPPQU" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Os2BjuPPQU</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.mtcomm.2022.103275" target="_blank" >10.1016/j.mtcomm.2022.103275</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Pressure effects on the crystal structure of the cubic metallofullerene salt [Li@C-60][PF6] to 12 GPa

  • Original language description

    The pressure-dependent structural properties of the metallofullerene salt, Li+@C-60][PF6](-), which has been shown before to adopt a primitive cubic structure at ambient conditions, have been studied by synchrotron X-ray powder diffraction at ambient temperature and at 7 K up to similar to 12 GPa. We find no evidence for a phase transition across the accessed pressure range at either temperature with the structure always remaining strictly primitive cubic (space group Pa (3) over bar). The extracted bulk moduli, K-0 of 17.51(13) GPa and 16.6(2) GPa at 7 K and ambient temperature, respectively are comparable to those of other cubic close-packed fullerene solids implying little influence of the interaction between the endohedral Li+ and the interstitial [PF6](-) unit. Rietveld analysis of the diffraction data shows that the adopted primitive cubic structure incorporates orientationally ordered [Li+@C-60] units - they are rotated anticlockwise by similar to 101 degrees about the three-fold [111] rotation axis. This finding together with the lack of observation of a monomer -&gt; polymer phase transition upon pressurization contrast sharply with the structural behaviour of isostructural pristine C-60 and its intercalated salts, (deely quenched) CsC60 and Na2CsC60, which both incorporate orientationally disordered C60 units and have a tendency to easily polymerize via intermolecular C-C bond formation. Such differences can be understood in terms of the expanded nature of the salt and the steric interactions introduced by the large [PF6](-) unit residing in the octahedral interstices.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Others

  • Publication year

    2022

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Materials Today Communications [online]

  • ISSN

    2352-4928

  • e-ISSN

    2352-4928

  • Volume of the periodical

    31

  • Issue of the periodical within the volume

    červen

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    7

  • Pages from-to

    103275

  • UT code for WoS article

    000761182100003

  • EID of the result in the Scopus database

    2-s2.0-85124474843