Li-rich antiperovskite superionic conductors based on cluster ions.

ABSTRACT: Enjoying great safety, high power, and high energy densities, all-solid-state batteries play a key role in the next generation energy storage devices. However, their development is limited by the lack of solid electrolyte materials that can reach the practically useful conductivities of 10^-2 S/cm at room temperature (RT). Here, by exploring a set of lithium-rich antiperovskites composed of cluster ions, we report a lithium superionic conductor, Li₃SBF₄, that has an estimated 3D RT conductivity of 10^-2 S/cm, a low activation energy of 0.210 eV, a giant band gap of 8.5 eV, a small formation energy, a high melting point, and desired mechanical properties. A mixed phase of the material, Li₃S(BF₄)_0.5Cl_0.5, with the same simple crystal structure exhibits an RT conductivity as high as 10^-1 S/cm and a low activation energy of 0.176 eV. The high ionic conductivity of the crystals is enabled by the thermal-excited vibrational modes of the cluster ions and the large channel size created by mixing the large cluster ion with the small elementary ion.

SUBMITTER: Fang H 

PROVIDER: S-EPMC5651741 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature