| Abstract Scope |
To stabilize Li7La3Zr2O12（LLZO） as cubic phase and improve Li+ conductivity, doping some elements on Li site is an effective method, and the reported possible Li site elements calculated by first principle are Be, B, Al, Fe, Zn, Ga. And the Ga-doped LLZO shows a higher conductivity than other LLZO. However, it remains to be further verified whether all these elements can stable LLZO as cubic phase and why Ga exhibits higher conductivity. In this work, these elements were tried to be dopped on Li site and the results show that only the Al, or Fe, or Ga can stable LLZO as cubic phase among these elements. Besides, the Ga-doped LLZO with the highest conductivity were fabricated, whose outstanding conductivity can be attributed to the transform of group space from Ia-3d to I-43d, shorter distances between different Li+, and the improved grain size created by Ga. |