Atomic scale verification of oxide-ion vacancy distribution near a single grain boundary in YSZ.

Abstract:

:This study presents atomic scale characterization of grain boundary defect structure in a functional oxide with implications for a wide range of electrochemical and electronic behavior. Indeed, grain boundary engineering can alter transport and kinetic properties by several orders of magnitude. Here we report experimental observation and determination of oxide-ion vacancy concentration near the Σ13 (510)/[001] symmetric tilt grain-boundary of YSZ bicrystal using aberration-corrected TEM operated under negative spherical aberration coefficient imaging condition. We show significant oxygen deficiency due to segregation of oxide-ion vacancies near the grain-boundary core with half-width < 0.6 nm. Electron energy loss spectroscopy measurements with scanning TEM indicated increased oxide-ion vacancy concentration at the grain boundary core. Oxide-ion density distribution near a grain boundary simulated by molecular dynamics corroborated well with experimental results. Such column-by-column quantification of defect concentration in functional materials can provide new insights that may lead to engineered grain boundaries designed for specific functionalities.

journal_name

Sci Rep

journal_title

Scientific reports

authors

An J,Park JS,Koh AL,Lee HB,Jung HJ,Schoonman J,Sinclair R,Gür TM,Prinz FB

doi

10.1038/srep02680

subject

Has Abstract

pub_date

2013-01-01 00:00:00

pages

2680

issn

2045-2322

pii

srep02680

journal_volume

3

pub_type

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