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[Analysis Case] Energy Profile of Li Ion Insertion/Extraction Process

Information on the energy barrier during Li-ion de-insertion and the solvent formation process can be obtained!

Our organization provides the energy profile of the Li-ion insertion and extraction process in LIB anodes/electrolytes using the ESM-RISM method. During the charge and discharge processes of lithium-ion secondary batteries (LIB), various phenomena occur near the interface with the electrolyte and the anode, including the formation of solvation, desolvation, the formation of the electric double layer, and the insertion and extraction of Li ions. This document introduces a case study that evaluates the energy profile and solvation structure during the Li-ion insertion and extraction process from graphite anodes using the hybrid ESM-RISM method, which combines Effective Screening Medium (ESM) and Reference Interaction Site Model (RISM) through simulation. [Measurement and Processing Methods] ■ Computational Science, AI, Data Analysis *For more details, please download the PDF or feel free to contact us.