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Toward a structural model for the aluminum tellurite glass system
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Barney, Emma, Laorodphan, Nattapol, Mohd-Noor, Faizani, Holland, Diane, Kempton, Tom, Iuga, Dinu and Dupree, Ray (2020) Toward a structural model for the aluminum tellurite glass system. The Journal of Physical Chemistry C, 124 (37). pp. 20516-20529. doi:10.1021/acs.jpcc.0c04342 ISSN 1932-7455.
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WRAP-Toward-structural-model-aluminum-tellurite-glass-system-Dupree-2020.pdf - Accepted Version - Requires a PDF viewer. Download (1688Kb) | Preview |
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Official URL: https://doi.org/10.1021/acs.jpcc.0c04342
Abstract
Neutron diffraction, 27Al MAS NMR, and 27Al Double Quantum MAS NMR results are presented and analyzed to determine the local environments of the cations in a series of aluminum tellurite glasses. Total scattering results show that, within a maximum Te–O distance of 2.36 Å, tellurium exhibits a mix of [TeO3E] and [TeO4E] environments (E = electron lone-pair), with a linear reduction in the average tellurium–oxygen coordination number as Al2O3 is added to the glass. This is accompanied by a linear decrease in the average aluminum–oxygen coordination number as [AlO4] units form at the expense of [AlO6] units, while the fraction of [AlO5] units remains roughly constant. A consideration of the bonding requirements of the five structural units in the glass, [TeO3E], [TeO4E], [AlO4], [AlO5], and [AlO6], has allowed a direct quantitative relationship between tellurium–oxygen and aluminum–oxygen coordination numbers to be derived for the first time, and this has been successfully extended to the boron tellurite system. Double Quantum 27Al MAS NMR indicates that, in contrast to previous reports, the shortest Al...Al separations are significantly smaller (∼3.2 Å) than expected for a uniform distribution and there is a preference for [AlO6]–[AlO6] and [AlO4]–[AlO4] corner sharing polyhedra. These associations support a new structural model which successfully applies the principle of charge balance to describe the interaction of tellurium and aluminum and identifies and explains the clustering of [AlOn] polyhedra in the glass and their preferred associations. [AlO6] and [TeO4E] units dominate the network in TeO2-rich glasses and [AlO4]− units form to stabilize the [TeO3E]+ units as alumina is added to the glass.
Item Type: | Journal Article | ||||||||||||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry T Technology > TN Mining engineering. Metallurgy |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||||||||||||||
SWORD Depositor: | Library Publications Router | ||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Neutrons -- Diffraction, Tellurium , Metallic glasses, Tellurites, Nuclear magnetic resonance spectroscopy | ||||||||||||||||||
Journal or Publication Title: | The Journal of Physical Chemistry C | ||||||||||||||||||
Publisher: | American Chemical Society (ACS) | ||||||||||||||||||
ISSN: | 1932-7455 | ||||||||||||||||||
Official Date: | 17 September 2020 | ||||||||||||||||||
Dates: |
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Volume: | 124 | ||||||||||||||||||
Number: | 37 | ||||||||||||||||||
Page Range: | pp. 20516-20529 | ||||||||||||||||||
DOI: | 10.1021/acs.jpcc.0c04342 | ||||||||||||||||||
Status: | Peer Reviewed | ||||||||||||||||||
Publication Status: | Published | ||||||||||||||||||
Reuse Statement (publisher, data, author rights): | “This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Published Work, see http://pubs.acs.org/page/policy/articlesonrequest/index.html].” | ||||||||||||||||||
Access rights to Published version: | Restricted or Subscription Access | ||||||||||||||||||
Date of first compliant deposit: | 18 September 2020 | ||||||||||||||||||
Date of first compliant Open Access: | 21 August 2021 | ||||||||||||||||||
RIOXX Funder/Project Grant: |
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