Nanoscale simulation of the lithium ion interaction with defective silicene

Abstract

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 σzx stress component due to the electrostatic force action.