Solvation-mediated adsorption mechanism of solvated lithium ions at a charged solid-liquid interface for electrochemical energy storage: atomic scale investigation and insights.

• Tác giả: Huihua Feng, Muhammad Hamza, Ridong Liao, Bing-Ang Mei, Zia Ul Rehman Tahir, Rui Xiong, Zhengxing Zuo
• Ngôn ngữ: eng
• Thông tin xuất bản: England : Physical chemistry chemical physics : PCCP , 2025
• Bộ sưu tập: NCBI
• ID: 698469

Tóm tắt

Ion encapsulation by solvent molecules significantly impacts ion transport and the adsorption mechanism in energy storage devices. The aim of this investigation is to analyse the adsorption mechanisms associated with the solvation shell of lithium ions near the electrode/electrolyte interface during the charging process. Simulations using molecular dynamics (MD) are conducted for LiPF