Effect of zinc oxide as a sintering aid on proton migration across Σ5 (310)/[001] tilt grain boundary of barium zirconate

Title
Effect of zinc oxide as a sintering aid on proton migration across Σ5 (310)/[001] tilt grain boundary of barium zirconate
Authors
김대희김병국김영철
Keywords
Protonic Ceramics; SOFC; PCFC; barium zirconate; Grain boundary; Zinc oxide; Density functional theory
Issue Date
2013-04
Publisher
Journal of electroceramics
Citation
VOL 30, NO 1-2, 19-23
Abstract
The effect of zinc oxide as a sintering aid on proton migration across a barium zirconate super cell with a Σ5 (310)/[001] tilt grain boundary was investigated using density functional theory. The proton was trapped by high energy barriers in the range of 1.28–1.49 eV near the zinc ion that was substituted for a zirconium ion at the grain boundary. However, there were available pathways for proton migration across the grain boundary away from the zinc ion with relatively low energy barriers in the range of 0.61–0.78 eV. Therefore, the zinc ion located at the grain boundary did not affect the energy barrier for proton migration, although the number of mobile protons could decrease as a result of being trapped near the zinc ion.
URI
http://pubs.kist.re.kr/handle/201004/46866
ISSN
13853449
Appears in Collections:
KIST Publication > Article
Files in This Item:
There are no files associated with this item.
Export
RIS (EndNote)
XLS (Excel)
XML


qrcode

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

BROWSE