Kinetic test of a doped silicene-graphite anode element in a computer experiment

AY Galashev and OR Rakhmanova and YP Zaikov, XVIII WORKSHOP ON HIGH ENERGY SPIN PHYSICS, DSPIN-2019, 1435, 012061 (2020).

DOI: 10.1088/1742-6596/1435/1/012061

The stability of the system "bi-layer silicene on the graphite substrate" is studied in the molecular dynamics simulation. Silicene sheets are doped with phosphorus, and graphite sheets are doped with nitrogen. Lithium ion moves along a silicene channel with a gap in the range of 0.6-0.8 nm. The time for the ion to pass the channel and leave it decreases with an increase in the channel gap. There is a tendency of the silicene sheets roughness growth with an increase in the gap between silicene sheets (except, 0.75 nm). Doping phosphorus and nitrogen atoms stabilize the silicene and graphite structure.

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