铜掺杂锂硫电池正极材料Li_2S性能研究  

Study on Li2S performance cathode material lithium-sulfur battery

作　　者：罗改霞[1] 文黎巍[2] 

机构地区：[1]盐城工学院,江苏盐城224003 [2]河南工程学院,河南郑州451191

出　　处：《湖南城市学院学报（自然科学版）》2015年第3期112-113,共2页Journal of Hunan City University:Natural Science

摘　　要：锂硫电池因其能量密度高和原材料丰富等优点而备受关注。应用第一性原理方法对Li_2S及其掺杂化合物的晶体结构、电子性质进行了研究。结果表明:掺杂Cu到Li_2S体系显著地减低了Li空位形成能主要是由于Cu引起的新峰通过调制电子以利于Li的嵌入/脱出。Lithium-sulfur batteries because of its high energy density and abundance of raw materials, etc. and concern. Application of first-principles methods Li2 S and depart compound crystal structure, electronic properties were studied. The results showed that doping Cu to Li2 S system significantly reduced the Li vacancy formation energy is mainly due to new peaks caused by Cu Li modulated electron facilitate the intercalation / denticulation.

关 键 词：锂硫电池 第一性原理 CU掺杂 

分 类 号：O244[理学—计算数学]