Strontium stannate as an alternative anode for alkali-ion batteries
Keywords:
SrSnO3; Li-ion battery; alkali-ion battery; atomistic simulations; Li-ion migration.Abstract
In this work, the structural, electronic and transport properties of SrSnO3 are explored
using density functional theory and forcefield-based simulations. The results of
structural and electronic properties are in line with the experiments. Results on alkali
ion transport properties reveal lower diffusion activation energies of 0,25; 0,28 and
0,44 eV and diffusion coefficient at ambient temperature of 9,6 × 10-11; 2,9 × 10-11 and
4,8 × 10-13 cm2s-1 for Li-, Na- and K-doped samples, respectively. These predicted
properties provides new evidence to consider SrSnO3 for use as an alternative anode,
in particular for both Na- and K-ion batteries.
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Copyright (c) 2023 Juan Carlos Donatién-Caballeros, Rafael Francisco Mut-Benítez, Yohandys A. Zulueta, Minh Tho-Nguyen
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