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Title: Structure of semiconducting versus fast-ion conducting glasses in the Ag–Ge–Se system

Abstract

The transition from a semiconductor to a fast-ion conductor with increasing silver content along the Ag x(Ge 0.25Se 0.75) (100-x) tie line (0≤x≤25) was investigated on multiple length scales by employing a combination of electric force microscopy, X-ray diffraction, and neutron diffraction. The microscopy results show separation into silver-rich and silver-poor phases, where the Ag-rich phase percolates at the onset of fast-ion conductivity. The method of neutron diffraction with Ag isotope substitution was applied to the x=5 and x=25 compositions, and the results indicate an evolution in structure of the Ag-rich phase with change of composition. The Ag–Se nearest-neighbours are distributed about a distance of 2.64(1) Å, and the Ag–Se coordination number increases from 2.6(3) at x=5 to 3.3(2) at x=25. For x=25, the measured Ag–Ag partial pair-distribution function gives 1.9(2) Ag–Ag nearest-neighbours at a distance of 3.02(2) Å. The results show breakage of Se–Se homopolar bonds as silver is added to the Ge 0.25Se 0.75 base glass, and the limit of glass-formation at x≃28 coincides with an elimination of these bonds. A model is proposed for tracking the breakage of Se–Se homopolar bonds as silver is added to the base glass.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5]
  1. Univ. of Bath (United Kingdom). Dept. of Physics
  2. Univ. of Montpellier (France). Inst. Charles Gerhardt
  3. Inst. Laue Langevin, Grenoble (France)
  4. Argonne National Lab. (ANL), Argonne, IL (United States). X-ray Science Division. Advanced Photon Source
  5. Corning Incorporated, Corning, NY (United States). Science and Technology Division
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of Bath (United Kingdom)
Sponsoring Org.:
USDOE; Engineering and Physical Sciences Research Council (EPSRC)
OSTI Identifier:
1461314
Grant/Contract Number:  
AC02-06CH11357; EP/G008795/1; EP/J009741/1
Resource Type:
Accepted Manuscript
Journal Name:
Royal Society Open Science
Additional Journal Information:
Journal Volume: 5; Journal Issue: 1; Journal ID: ISSN 2054-5703
Publisher:
The Royal Society Publishing
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; glass structure; phase separation; super-ionic phase; percolation transition; electric force microscopy; neutron and X-ray diffraction

Citation Formats

Zeidler, Anita, Salmon, Philip S., Whittaker, Dean A. J., Piarristeguy, Andrea, Pradel, Annie, Fischer, Henry E., Benmore, Chris J., and Gulbiten, Ozgur. Structure of semiconducting versus fast-ion conducting glasses in the Ag–Ge–Se system. United States: N. p., 2018. Web. doi:10.1098/rsos.171401.
Zeidler, Anita, Salmon, Philip S., Whittaker, Dean A. J., Piarristeguy, Andrea, Pradel, Annie, Fischer, Henry E., Benmore, Chris J., & Gulbiten, Ozgur. Structure of semiconducting versus fast-ion conducting glasses in the Ag–Ge–Se system. United States. doi:10.1098/rsos.171401.
Zeidler, Anita, Salmon, Philip S., Whittaker, Dean A. J., Piarristeguy, Andrea, Pradel, Annie, Fischer, Henry E., Benmore, Chris J., and Gulbiten, Ozgur. Wed . "Structure of semiconducting versus fast-ion conducting glasses in the Ag–Ge–Se system". United States. doi:10.1098/rsos.171401. https://www.osti.gov/servlets/purl/1461314.
@article{osti_1461314,
title = {Structure of semiconducting versus fast-ion conducting glasses in the Ag–Ge–Se system},
author = {Zeidler, Anita and Salmon, Philip S. and Whittaker, Dean A. J. and Piarristeguy, Andrea and Pradel, Annie and Fischer, Henry E. and Benmore, Chris J. and Gulbiten, Ozgur},
abstractNote = {The transition from a semiconductor to a fast-ion conductor with increasing silver content along the Agx(Ge0.25Se0.75)(100-x) tie line (0≤x≤25) was investigated on multiple length scales by employing a combination of electric force microscopy, X-ray diffraction, and neutron diffraction. The microscopy results show separation into silver-rich and silver-poor phases, where the Ag-rich phase percolates at the onset of fast-ion conductivity. The method of neutron diffraction with Ag isotope substitution was applied to the x=5 and x=25 compositions, and the results indicate an evolution in structure of the Ag-rich phase with change of composition. The Ag–Se nearest-neighbours are distributed about a distance of 2.64(1) Å, and the Ag–Se coordination number increases from 2.6(3) at x=5 to 3.3(2) at x=25. For x=25, the measured Ag–Ag partial pair-distribution function gives 1.9(2) Ag–Ag nearest-neighbours at a distance of 3.02(2) Å. The results show breakage of Se–Se homopolar bonds as silver is added to the Ge0.25Se0.75 base glass, and the limit of glass-formation at x≃28 coincides with an elimination of these bonds. A model is proposed for tracking the breakage of Se–Se homopolar bonds as silver is added to the base glass.},
doi = {10.1098/rsos.171401},
journal = {Royal Society Open Science},
number = 1,
volume = 5,
place = {United States},
year = {2018},
month = {1}
}

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Works referenced in this record:

Two-dimensional detector software: From real detector to idealised image or two-theta scan
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