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Title: Structural analysis of WO3 -TeO2 glasses by neutron, high energy X-ray diffraction, reverse Monte Carlo simulations and XANES

Journal Article · · Journal of Non-Crystalline Solids
 [1];  [2];  [3];  [4];  [5];  [3];  [3];  [4];  [6];  [6]
  1. Guru Nanak Dev Univ., Amritsar (India). Dept. of Physics
  2. Hungarian Academy of Sciences, Budapest (Hungary). Centre for Energy Research
  3. Guru Nanak Dev Univ., Amritsar (India). Dept. of Physics
  4. Bhabha Atomic Research Centre, Trombay, Mumbai (India). Solid State Physics Division
  5. Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
  6. Bhabha Atomic Research Centre, Trombay, Mumbai (India). Atomic & Molecular Physics Division
+ Show Author Affiliations

The structure of WO3-TeO2 glasses containing 15, 20 and 25 mol% WO3 are studied by neutron diffraction (ND), high energy X-ray diffraction (XRD) and X-ray Absorption Near Edge spectroscopy (XANES). The short-range structural properties of glasses i.e. Te-O and W-O speciation, coordination number distributions, bond-lengths, and the O-Te-O, O-W-O and O-O-O bond angle distributions in the glass network are determined by the Reverse Monte Carlo (RMC) simulations of the ND and XRD data. RMC technique successfully determined all partial pair correlation functions and the coordination number distributions revealed that glass network consists predominantly of TeO4 and WO4 units with small amounts of triangular, penta and hexa co-ordinated units. The average W-O and Te-O bond lengths are in the ranges: 1.69-1.75 +/- 0.01 angstrom and 1.99-2.00 +/- 0.01 angstrom respectively. Both W-O and Te-O correlation peaks are asymmetrical, that indicate a distribution of their bond lengths in the respective structural units. The O-Te-O bond angle distribution has a peak at 107 +/- 2 degrees. Similarly the O-W-O bond angle distribution has a peak at 108 +/- 5 degrees. On increasing the WO3 concentration from 15 to 25 mol%, the average Te-O coordination number decreases from 3.80 to 3.61 +/- 0.02 due to the structural transformation: TeO4→ TeO3, similarly the W-O coordination also decreases and is in the range: 3.79-3.67 +/- 0.02. XANES studies found that the oxidation state of Te and W ions in the glasses are 4+ and 6+ respectively.

Research Organization:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Organization:
UGC DAE Consortium for Scientific Research - Kolkata Centre (India); Indian Institute Management, Indore; USDOE
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
1480855
Journal Information:
Journal of Non-Crystalline Solids, Vol. 495, Issue C; ISSN 0022-3093
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 13 works
Citation information provided by
Web of Science

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Cited By (2)

Structure of xMoO 3 -(100-x)TeO 2 glasses by neutron diffraction and Reverse Monte Carlo modeling journal April 2019
Structure of bismuth tellurite and bismuth niobium tellurite glasses and $Bi_{2}Te_{4}O_{11}$ anti-glass by high energy X-ray diffraction text January 2020

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Related Subjects

36 MATERIALS SCIENCE
RMC simulations
XANES
neutron and high energy x-ray diffraction
short-range structure
tellurite glasses