Computer Test of a Modified Silicene/Graphite Anode for Lithium-Ion Batteries.

ABSTRACT: Despite the considerable efforts made to use silicon anodes and composites based on them in lithium-ion batteries, it is still not possible to overcome the difficulties associated with low conductivity, a decrease in the bulk energy density, and side reactions. In the present work, a new design of an electrochemical cell, whose anode is made in the form of silicene on a graphite substrate, is presented. The whole system was subjected to transmutation neutron doping. The molecular dynamics method was used to study the intercalation and deintercalation of lithium in a phosphorus-doped silicene channel. The maximum uniform filling of the channel with lithium is achieved at 3% and 6% P-doping of silicene. The high mobility of Li atoms in the channel creates the prerequisites for the fast charg

SUBMITTER: Galashev AY 

PROVIDER: S-EPMC7288579 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature