Improved Oxide Ion Conductivity of Hexagonal Perovskite-Related Oxides Ba3W1+xV1−xO8.5+x/2

Hexagonal perovskite-related oxides such as Ba3WVO8.5 have attracted much attention due to their unique crystal structures and significant oxide ion conduction. However, the conductivity of is not very high. Herein, we report new hexagonal Ba3W1+xV1−xO8.5+x/2 (x = −0.1, −0.05, 0.05, 0.1, 0.25, 0.4, 0.5, 0.6, 0.75). The bulk Ba3W1.6V0.4O8.8 was found be 21 times higher than that mother material at 500 °C. Maximum entropy method (MEM) neutron scattering length density (NSLD) analyses diffraction data 800 °C experimentally visualized diffusion pathways through octahedral O2 tetrahedral O3 sites in intrinsically oxygen-deficient layers. By increasing excess W content x Ba3W1+xV1−xO8.5+x/2, oxygen x/2 increases, which leads more atoms sites, a minimum NSLD on O2–O3 path, level conductivity. Another reason for increased lower activation energy conduction, can ascribed longer (W/V)–O2 (W/V)–O3 distances substitution V with large-sized species. present findings open avenues science technology conductors.