Insertion of be atoms in C-60 fullerene cages: Be@C-60
Insertion of be atoms in C-60 fullerene cages: Be@C-60
复制标题
DOI：
10.1103/physrevlett.77.3522
复制
发表时间：
1996-10-21
影响因子：
8.6
通讯作者：
Kikuchi, K
中科院分区：
文献类型：
--
作者：
Ohtsuki, T;Masumoto, K;Kikuchi, K
在最终溶剂中，可以使用放射化学和放射色谱技术检测放射性内核Be-7@C-60。这样的Be-7原子可以穿透到C-60笼中，通过核反应的反冲过程产生Be-7@C-60。从头算分子动力学模拟表明，直接插入过程是可能的。实验结果与理论计算结果基本一致。
Radioactive endohedral Be-7@C-60 can be detected using radiochemical and radiochromatographic techniques in the final solvent. Such a Be-7 atom can penetrate into the C-60 cage to produce Be-7@C-60 by a recoil process of the nuclear reactions. An ab initio molecular dynamics simulation was carried out to demonstrate that a direct insertion process is really possible. Both the experimental and the theoretical results were consistent with each other.