Defect interactions and ionic transport in scandia stabilized zirconia
MetadataShow full item record
Classical molecular dynamics simulation has been used to study ionic transport inscandia-stabilized zirconia, as well as scandia and yttria-co-doped zirconia, as a function of temperature and composition. The oxygen diffusion coefficient shows a peak at a composition of 6 mol% Sc2O3. At 1125 K and higher temperatures, oxygen vacancies prefer to be second nearest neighbours to yttrium ions and first neighbours to scandium ions, because the defect interactions in scandia-stabilized zirconia are governed mainly by electrostatic effects. Oxygen migration between cation tetrahedra is impeded less effectively by Sc-Sc edges than by Y-Y edges. The formation of neutral dopant-anion vacancy clusters is favoured, in agreement with recent nuclearmagnetic resonance observations.
Showing items related by title, author, creator and subject.
Carter, Geoffrey A. (2009)Advanced zirconia-based materials have many important applications in electronics and medical applications, and of most interest to this research, solid oxide fuel cells (SOFC) which is a key technology for alternative ...
Electrochemical performance of a Ni and YSZ composite synthesised by ultrasonic spray pyrolysis as an anode for SOFCsPark, H.; Shao, Zongping; Wang, W.; Moon, K. (2011)The electrochemical performance of an anode material for a solid oxide fuel cell (SOFC) depends highly on microstructure in addition to composition. In this study, a NiO-yttria-stabilised zirconia (NiO-YSZ) composite with ...
Carter, Geoffrey; Van Riessen, Arie; Hart, Robert (2006)Commercial grade alumina along with 5, 10, 15 and 20 wt% zirconia dispersed aluminas were tested for their wear resistance at ambient temperature, 140oC and 250oC using a pin on disk tribotester fitted with a hot stage. ...