点击次数：

论文类型：期刊论文

发表时间：2016-04-21

发表刊物：JOURNAL OF PHYSICAL CHEMISTRY C

收录刊物：SCIE、EI

卷号：120

期号：15

页面范围：8387-8391

ISSN号：1932-7447

摘要：Proton-conducting perovskite oxides form a class of solid electrolytes for novel electrochemical devices operating at moderate temperatures. Here, we use hard X-ray photoelectron spectroscopy, scanning transmission electron microscopy, and density functional theory calculations to investigate the structure and elucidate the origin of the fast proton transport properties of strained ultrathin films of Y-doped BaZrO3 grown by pulsed lased deposition on NdGaO3. Our study shows that our BaZr0.8Y0.2O3 films incorporate a significant amount of Y dopants, and to a lesser extent also Zr ions, substituting for Ba2+, and that these substitutional defects agglomerate forming columnar regions crossing vertically from the surface to the interface the entire film. Our calculations also show that, in regions rich in Y substitutions for both Zr and Ba, the proton transfer process involves nearly zero-energy barriers, indicating that A-site cation substitutions by Y lead to fast transport pathways and hence are responsible for the previously observed enhanced values of the proton conductivity of these perovskite oxide films.