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Structural Origin of the Mixed Glass Former Effect in Sodium Borophosphate Glasses Investigated with Neutron Diffraction and Reverse Monte Carlo Modeling

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    Structural Origin of the Mixed Glass Former Effect in Sodium Borophosphate Glasses Investigated with Neutron Diffraction and Reverse Monte Carlo Modeling
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    † Department of Applied Physics, Chalmers University of Technology, SE-412 96 Göteborg, Sweden
    ‡ Fachbereich Physik, Universität Osnabrück, Barbarastraße 7, 49076 Osnabrück, Germany
    § Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, United States
    ∥ ISIS Facility, STFC Rutherford Appleton Laboratory, Chilton, Didcot, Oxon OX11 0QX, UK
    *Fax: +46 31 772 2090. Tel.: +46 31 772 8038. E-mail: [email protected]
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    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2015, 119, 49, 27275–27284
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    https://doi.org/10.1021/acs.jpcc.5b09176
    Published December 1, 2015
    Copyright © 2015 American Chemical Society
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    Abstract

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    The mixed glass former systems 0.35Na2O + 0.65[xB2O3 + (1 – x)P2O5] and 0.5Na2O + 0.5[xB2O3 + (1 – x)P2O5] with x = 0–1 were investigated with neutron diffraction (ND) together with reverse Monte Carlo (RMC) modeling of 0.35Na2O + 0.65[xB2O3 + (1 – x)P2O5]. The results show that the structure of both systems is reflected by an intermediate-range ordering, with a characteristic x-dependent length scale of about 4–6 Å and which contracts slightly with the increase of the Na concentration. Results obtained from RMC modeling of the 0.35Na2O + 0.65[xB2O3 + (1 – x)P2O5] system, using both previously reported X-ray diffraction (XRD) data as well as the here obtained ND data as independent constraints in the modeling, show that the intermediate-range structural features, notably the Na coordination and volume fraction of the conducting pathways, are only weakly dependent on the choice of the constraints used. In particular, we observe that the volume fraction of the conducting pathways and the activation energy for ionic conduction are only weakly correlated to each other, as opposed to what is found for binary alkali borate and phosphate glasses.

    Copyright © 2015 American Chemical Society

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    This article is cited by 15 publications.

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    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2015, 119, 49, 27275–27284
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpcc.5b09176
    Published December 1, 2015
    Copyright © 2015 American Chemical Society
    Request reuse permissions

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