摘要
合成制备了一种新的环状亚硫酸酯类有机溶剂——亚硫酸丁烯酯(BS).量子化学计算结果表明,亚硫酸丁烯酯有机溶剂分子的总能、LUMO值比碳酸丙烯酯有机溶剂的低,具有较强的得电子能力,不易被氧化.其作为添加剂与碳酸丙烯酯(PC)混合应用于锂离子电池中,可有效地抑制PC在石墨电极中的共插入,能显著改善循环性能.
As a novel organic solvent electrolyte material, sulfites possess high a antioxidation and electrochemical stability. Butylene sulfite with cyclic structure was synthesized. The total energy and the frontier molecular orbital energy of the organic butylene sulfite and propylene carbonate molecules were calculated. The LUMO energy and the total energy of the propylene carbonate molecule were lower than that of the butylene sulfite molecule. It is clearly indicated that the butylene sulfite molecule can easily accept electrons and bears a high reaction activity. Even in additive amounts（ volume fraction 5% ） butylene sulfite is suppressing co-intercalation of propylene carbonate （PC） into graphite. The formation of a stable passivating film on the graphite surface was believed to be the reason for the improved cycle performance for lithium ion battery.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2007年第2期293-296,共4页
Chemical Journal of Chinese Universities
基金
国家重点基础研究发展计划项目(批准号:2002CB211800)
国家基础研究重大项目前期研究专项基金(批准号:2001CCA05000)资助
关键词
亚硫酸丁烯酯
电解液
石墨电极
锂离子电池
固体电解质相界面膜
Butylene sulfite
Electrolyte
Graphite electrode
Lithium ion battery
Solid electrolyte interphase film
