采用蒙特卡罗方法研究了碳纳米管的直径、形貌以及与金属镍之间的相互作用对填充镍结构的影响.结果表明:碳纳米管的直径决定内部金属的结构,并且随着直径的增加,含有中心原子链的同轴层状结构和不含中心原子链的同轴层状结构交替出现.另外,碳纳米管的形貌与金属-纳米管之间相互作用对填充镍的结构并没有显著的影响.
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