运用单双取代耦合簇(CCSD)方法,选择基组6-311+g(2df)对基态B2、Li2和LiB分子的微观结构进行优化计算,采用最小二乘法拟合得到B2、......

A novel polymer electrolyte with the formula of Li2B4O7-PVA for lithium-ion battery was synthesized and its ion conducti......