Influence of isotropic and biaxial strain on proton conduction in Y-doped BaZrO3: A reactive molecular dynamics study

Strain has been proposed as a potential tool to increase the oxygen ion conduction in oxides. Here we study by means of molecular dynamics simulations the influence of isotropic and biaxial strain on the proton conductivity of yttrium-doped barium zirconate to examine whether a similar influence occ...

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Bibliographic Details
Main Authors: Ottochian, A., Dezanneau, G., Gilles, C., Raiteri, Paolo, Knight, C., Gale, Julian
Format: Journal Article
Published: R S C Publications 2014
Online Access:http://hdl.handle.net/20.500.11937/13050