Nanoscale simulation of the lithium ion interaction with defective silicene

AY Galashev and KA Ivanichkina, PHYSICS LETTERS A, 381, 3079-3083 (2017).

DOI: 10.1016/j.physleta.2017.07.040

Lithium ion drift through the porous membranes in an electric field using molecular dynamics is investigated. Mono-, bi-, tri-, and hexa- vacancies were pores of two-layer silicene. Ion has a convoluted path. The average time for an ion to overcome membranes with single vacancies is more than three times higher than that for membranes with hexa- vacancies. Passage of the lithium ion through a flat silicene channel causes an increase in the roughness of the silicene, an increase in the mobility of Si atoms, a significant increase in the sigma(zx) stress component due to the electrostatic force action. (C) 2017 Elsevier B.V. All rights reserved.

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