A little bit of lithium does a lot for hydrogen
A little bit of lithium does a lot for hydrogen
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DOI：
10.1073/pnas.0908262106
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发表时间：
2009-10
期刊：
影响因子：
--
通讯作者：
E. Zurek;R. Hoffmann;N. Ashcroft;A. Oganov;A. Lyakhov
中科院分区：
文献类型：
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作者：
E. Zurek;R. Hoffmann;N. Ashcroft;A. Oganov;A. Lyakhov
从对电子结构的详细评估中，我们发现，7个原子中有6个是氢的显著量子元素的组合，在大约1/4的压力下成为稳定的金属，所需的压力大约是纯氢本身金属化所需的压力。LiH6(和其他锂)系统很可能在组成锂的基础上进行扩展。这些假设材料表明，非传统的化学计量学可以极大地扩展中等压力下的化学结合的观点。
From detailed assessments of electronic structure, we find that a combination of significantly quantal elements, six of seven atoms being hydrogen, becomes a stable metal at a pressure approximately 1/4 of that required to metalize pure hydrogen itself. The system, LiH6 (and other LiHn), may well have extensions beyond the constituent lithium. These hypothetical materials demonstrate that nontraditional stoichiometries can considerably expand the view of chemical combination under moderate pressure.