Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7738537 | Journal of Power Sources | 2014 | 26 Pages |
Abstract
Molecular dynamics simulations are conducted to study oxide ion conduction in Ba-doped LaInO3, a type of cubic perovskite oxide. In a previous study, we reported that the Ba dopant forms oxygen vacancies and narrow bottlenecks that function as a barrier to the movement of oxide ions. In this further study, we analyze the effects of dopant distribution on the oxide ion conductivity in Ba-doped LaInO3. The results show that the ionic conductivity of Ba-doped LaInO3 is strongly dependent on the dopant distribution. The Ba-rich region plays a crucial role in decreasing the ionic conductivity. Consequently, a homogeneous dopant distribution without a Ba-rich region is estimated to improve the ionic conductivity of Ba-doped LaInO3.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Electrochemistry
Authors
Mi-Young Yoon, Kuk-Jin Hwang, Dae-Seop Byeon, Hae-Jin Hwang, Seong-Min Jeong,