A structural investigation of the alkali metal site distribution within bioactive glass using neutron diffraction and multinuclear solid state NMR

Martin, R.A. and Twyman, H.L. and Rees, G.J. and Smith, J.M. and Barney, E.R. and Smith, M.E. and Hanna, J.V. and Newport, Robert J. (2012) A structural investigation of the alkali metal site distribution within bioactive glass using neutron diffraction and multinuclear solid state NMR. Physical Chemistry Chemical Physics, 14 (35). pp. 12105-12113. ISSN 1463-9076. (doi:https://doi.org/10.1039/c2cp41725a) (Full text available)

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Abstract

The atomic-scale structure of Bioglass and the effect of substituting lithium for sodium within these glasses have been investigated using neutron diffraction and solid state magic angle spinning (MAS) NMR. Applying an effective isomorphic substitution difference function to the neutron diffraction data has enabled the Na–O and Li–O nearest-neighbour correlations to be isolated from the overlapping Ca–O, O–(P)–O and O–(Si)–O correlations. These results reveal that Na and Li behave in a similar manner within the glassy matrix and do not disrupt the short range order of the network former. Residual differences are attributed solely to the variation in ionic radius between the two species. Successful simplification of the 2 < r (Å) < 3 region via the difference method has enabled all the nearest neighbour correlations to be deconvolved. The diffraction data provides the first direct experimental evidence of split Na–O nearest-neighbour correlations in these melt quench bioactive glasses, and an analogous splitting of the Li–O correlations. The observed correlations are attributed to the metal ions bonded either to bridging or to non-bridging oxygen atoms. 23Na triple quantum MAS (3QMAS) NMR data corroborates the split Na–O correlations. The structural sites present will be intimately related to the release properties of the glass system in physiological fluids such as plasma and saliva, and hence to the bioactivity of the material. Detailed structural knowledge is therefore a prerequisite for optimizing material design.

Item Type: Article
Additional information: Unmapped bibliographic data: LA - English [Field not mapped to EPrints] J2 - Phys. Chem. Chem. Phys. [Field not mapped to EPrints] C2 - 22868255 [Field not mapped to EPrints] AD - School of Physical Sciences, Ingram Building, University of Kent, Canterbury, CT2 7NH, United Kingdom [Field not mapped to EPrints] AD - School of Engineering and Applied Science, Aston Research Centre for Healthy Ageing, University of Aston, Aston Triangle, Birmingham B4 7ET, United Kingdom [Field not mapped to EPrints] AD - Department of Physics, University of Warwick, Coventry, CV4 7AL, United Kingdom [Field not mapped to EPrints] AD - Faculty of Engineering, University of Nottingham, Nottingham, NG7 2RD, United Kingdom [Field not mapped to EPrints] AD - Vice-Chancellor's Office, University House, University of Lancaster, Lancaster, LA1 4YW, United Kingdom [Field not mapped to EPrints] DB - Scopus [Field not mapped to EPrints]
Uncontrolled keywords: alkali metal, bioglass, article, ceramics, chemistry, neutron diffraction, nuclear magnetic resonance, Ceramics, Metals, Alkali, Neutron Diffraction, Nuclear Magnetic Resonance, Biomolecular
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science > QD Chemistry > QD478 Solid State Chemistry
Divisions: Faculties > Sciences > School of Physical Sciences
Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Giles Tarver
Date Deposited: 12 Feb 2015 12:42 UTC
Last Modified: 16 Apr 2019 09:38 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/46957 (The current URI for this page, for reference purposes)
Newport, Robert J.: https://orcid.org/0000-0002-2365-992X
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