Silicene, germanene and stanene likely to graphene are atomic thick materialwith interesting properties. We employed first-principles density functionaltheory (DFT) calculations to investigate and compare the interaction of Na orLi ions on these films. We first identified the most stable binding sites andtheir corresponding binding energies for a single Na or Li adatom on theconsidered membranes. Then we gradually increased the ions concentration untilthe full saturation of the surfaces is achieved. Our Bader charge analysisconfirmed complete charge transfer between Li or Na ions with the studied 2Dsheets. We then utilized nudged elastic band method to analyze and compare theenergy barriers for Li or Na ions diffusions along the surface and through thefilms thicknesses. Our investigation findings can be useful for the potentialapplication of silicene, germanene and stanene for Na or Li ion batteries.
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