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中国物理学会期刊

碳纳米管内金纳米线的结构与热稳定性

CSTR: 32037.14.aps.57.4347

Structure and thermal stability of gold nanowire encapsulated in carbon nanotube

CSTR: 32037.14.aps.57.4347
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  • 采用分子动力学模拟方法, 研究了填充在(8,8)单壁碳纳米管内的Au纳米线的结构和热稳定性. 研究表明, 经高温退火至室温, Au在碳纳米管内能生成多样而稳定的结构上明显区别于自由状态Au纳米线的壳层螺旋结构Au纳米线, 其螺旋结构会随着温度的变化而转变. 束缚在碳纳米管内的壳层螺旋结构Au纳米线有非常好的热稳定性, 稳定温度高于块体Au晶体的熔化温度.

     

    The structure and thermal stability of gold nanowire encapsulated in single-walled carbon nanotube (SWCNT) were studied by molecular dynamics simulations. A (8,8) SWCNT was used as a model system and the simulated annealing method was employed to find the stable structure of the gold nanowire at room temperature. Ourresults show that the gold nanowire encapsulated in a (8,8) SWCNT has a cylindrical shape and a helical shell structure. The helical-shell nanowire is thermally stable at temperatures much higher than the melting temperature of its bulk counterpart and is different from the gold nanowire formed in free space without the nanotube envelope. We also found that the spiral nanowire undergoes structural changes at higher temperatures.

     

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