Acta Chimica Sinica ›› 2012, Vol. 70 ›› Issue (01): 71-77.DOI: 10.6023/A1107041 Previous Articles     Next Articles

Full Papers

LiBH4-X(X=O,F和Cl)体系解氢性能的第一原理计算

李闯a,b, 周惦武a, 彭平b, 万隆b   

  1. a. 湖南大学汽车车身先进设计制造国家重点实验室, 长沙 410082;
    b. 湖南大学材料科学与工程学院, 长沙 410082
  • 收稿日期:2011-07-04 修回日期:2011-08-30 出版日期:2012-01-14 发布日期:2012-02-25
  • 通讯作者: 李闯 E-mail:lichuang4795@163.com
  • 基金资助:

    国家自然科学基金(No.51071065)和湖南大学汽车车身先进设计制造国家重点实验室自主课题(No.71075003)资助项目.

First-Principles Calculation on Dehydrogenating Properties of LiBH4-X(X=O,F,Cl)Systems

Li Chuanga,b, Zhou Dianwua, Peng Pingb, Wan Longb   

  1. a. State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, Hunan University, Changsha 410082;
    b. School of Materials Science and Engineering, Hunan University, Changsha 410082
  • Received:2011-07-04 Revised:2011-08-30 Online:2012-01-14 Published:2012-02-25
  • Supported by:

    Project supported by the National Natural Science Foundation of China(No.51071065)and the Autonomous Subject of State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body(No.71075003).