介绍了一种基于材料中的化学键和原子的近邻原子数基础上的碳相及其相关纳米结构的分类新方法.该分类方法不仅可以描述已有碳结构,还可用于预测新的碳物相和结构.通过连接、原子叠加、以及已有结构转变可以获得新结构.使用这种方法可以用来预测金刚石晶系,发现了由原子放置在的等同位置处的30种类金刚石结构,其中18种结构为首次预测所得.
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