A metallic graphene layer adsorbed with lithium
A metallic graphene layer adsorbed with lithium
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DOI：
10.1063/1.3126008
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发表时间：
2009-04
影响因子：
4
通讯作者：
Chih-Kai Yang
中科院分区：
文献类型：
--
作者：
Chih-Kai Yang
我们发现，通过密度泛函计算，锂原子可以通过扭曲蜂窝晶格中碳原子的相对位置交替地键合到石墨烯层的两侧。与最近通过氢化合成的石墨烷相比，其中每个碳被氢拉出平面，碳被附着的锂推开。令人惊讶的是，这个违反直觉的结构是一个导体。这将对其在锂储存中的应用产生影响。
We found, by density functional calculation, that lithium atoms can be bonded to a graphene layer alternately on both sides by distorting the relative positions of the carbon atoms in the honeycomb lattice. Compared to the recently synthesized graphane by hydrogenation in which each carbon is pulled out of the plane by hydrogen, the carbon is pushed off instead by the attached lithium. And, surprisingly, the counterintuitive structure is a conductor. This should give consequences to its application in lithium storage.