Density Functional Theory Study on Li-Decorated B 12N 12 Cage for Hydrogen Storage Behavior
XU Wen-Jie, HU Zi-Yu, SHAO Xiao-Hong
Acta Phys. -Chim. Sin. . 2012, (07): 1721 -1725 .  DOI: 10.3866/PKU.WHXB201205091