ELECTRONIC-PROPERTIES AND THE MAXIMUM HYDROGEN ABSORPTION CAPACITY OF THE NOVEL HYDRIDE NA2PDH2

被引:10
作者
GUPTA, M [1 ]
TEMMERMAN, WM [1 ]
机构
[1] SERC,DARESBURY LAB,WARRINGTON WA4 4AD,CHESHIRE,ENGLAND
关键词
D O I
10.1088/0953-8984/3/7/011
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We have investigated the electronic structure of the recently synthesized hydride Na2PdH2 by means of a calculation of the energy bands and densities of states using the linear muffin-tin orbital method. The metal-hydrogen bonding features, the Fermi-energy-related properties and the maximum hydrogen content of the system are discussed.
引用
收藏
页码:871 / 875
页数:5
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