Influence of La/W ratio on electrical conductivity of lanthanum tungstate with high La/W ratio

The proton-conducting properties of lanthanum tungstates (LWOs) with high La/W ratios were investigated using electrochemical measurements and quantum chemical calculations. Single phases of LWOs with high La/W ratios (6.3 <= La/W <= 6.7) were synthesized by high-temperature sintering at around 1700 degrees C. The electrical conductivity of LWO increased with increasing La/W ratio in the single-phase region. The LWO synthesized at the optimum sintering temperature and time, and with the optimum La/W ratio gave the maximum conductivity, i.e., 2.7x10(-3) S cm(-1) with La/W = 6.7 at 500 degrees C. Density functional theory calculations, using the nudged elastic band method, were performed to investigate the proton diffusion barrier. The results suggest that the proton diffusion paths around La sites have the lowest proton diffusion barrier. These findings improve our understanding of LWO synthesis and the proton conducting mechanism and provide a strategy for improving proton conduction in LWOs.