TiB and SrB monolayers: high capacity and zero strain-like anode materials for Li/Na/K/Ca ion batteries.

Storage capacity, average open circuit voltage (OCV), diffusion barrier, lattice parameter changes, are key indicators of whether a material would be suitable for use as a Li-ion or non-Li-ion battery (LIB or NLIB) anode. The rapid development of 2D materials over the past few decades has opened up new possibilities for these metrics. Using first-principles calculations, we prove that two 2D materials, TiB and SrB, show excellent performance in terms of the above metrics when used as anodes for LIBs or NLIBs.