Total scattering analysis of cation coordination and vacancy pair distribution in Yb substituted δ-Bi2O3

Marzena Leszczyńska - Redek , X. Liu , Wojciech Wróbel , Marcin Małys , S.T. Norberg , S. Hull , Franciszek Krok , I. Abrahams


Reverse Monte Carlo (RMC) modelling of neutron total scattering data, combined with conventional Rietveld analysis of x-ray and neutron data, has been used to describe the cation coordination environments and vacancy pair distribution in the oxide ion conducting electrolyte Bi3YbO 6. The thermal variation of the cubic fluorite unit cell volume, monitored by variable temperature x-ray and neutron experiments, reveals significant curvature, which is explained by changes in the oxide ion distribution. There is a significant increase in tetrahedral oxide ion vacancy concentration relative to δ-Bi2O3, due to the creation of Frenkel defects associated with the Yb3+ cation. The tetrahedral oxide ion vacancy concentration increases from room temperature to 800 ° C, but little change is observed in the vacancy pair distribution with temperature. The vacancy pair distributions at both temperatures are consistent with a favouring of 100 vacancy pairs. © 2013 IOP Publishing Ltd.
Author Marzena Leszczyńska - Redek (FP / SSID)
Marzena Leszczyńska - Redek,,
- Solid State Ionics Division
, X. Liu - [School of Biological and Chemical Sciences Queen Mary University of London]
X. Liu,,
, Wojciech Wróbel (FP / SSID)
Wojciech Wróbel,,
- Solid State Ionics Division
, Marcin Małys (FP / SSID)
Marcin Małys,,
- Solid State Ionics Division
, S.T. Norberg - [Chalmers University of Technology]
S.T. Norberg,,
, S. Hull - [ISIS Facility]
S. Hull,,
, Franciszek Krok (FP / SSID)
Franciszek Krok,,
- Solid State Ionics Division
, I. Abrahams - [School of Biological and Chemical Sciences Queen Mary University of London]
I. Abrahams,,
Journal seriesJournal of Physics-Condensed Matter, ISSN 0953-8984
Issue year2013
Publication size in sheets22710.35
ASJC Classification3104 Condensed Matter Physics; 2500 General Materials Science
Languageen angielski
Score (nominal)30
Score sourcejournalList
ScoreMinisterial score = 30.0, 09-01-2020, ArticleFromJournal
Ministerial score (2013-2016) = 30.0, 09-01-2020, ArticleFromJournal
Publication indicators Scopus Citations = 10; GS Citations = 3.0; Scopus SNIP (Source Normalised Impact per Paper): 2013 = 1.035; WoS Impact Factor: 2013 = 2.223 (2) - 2013=2.335 (5)
Citation count*3 (2015-05-11)
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