Probing the potential of halogen-free superhalogen anions as effective electrolytes of Li-ion batter

• 作 者: Yin-YinSun;BingYin;
• 机 构: MOE Key Laboratory of Synthetic and Natural Functional Molecule Chemistry,College of Chemistry and M
• 出 处: 第十三届全国量子化学会议
• 发表日期: 2017年期

　　The potential of 23 superhalogen anions of halogen-free structures as high-performance electrolyte of Li-ion batteries is theoretically explored here.According to high-level ab initio results at the CCSD(T)level,eight candidates,obeying the Wade-Mingos rule,should be capable of forming electrolytes,which are better than currently used commercial product.