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Phonon thermal conductivity reduction in silicene nanotubes with isotope substitution

机译:具有同位素替代的硅纳米管中的声火导电性降低

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We used molecular dynamics simulations to study the isotopic doping effects on phonon thermal conductivity in armchair silicene nanotubes (SNTs). The phonon thermal conductivity of armchair SNTs can be effectively tuned with isotope substitution. Randomly and superlattice-structured isotopic doping can significantly reduce thermal conductivity. By analyzing the phonon vibrational spectrum, we reveal the underlying physical insights into the relationship between randomly isotopic doping concentration and thermal conductivity. Given the same doping concentration, the superlattice-structured doping method can reduce thermal conductivity more significantly than the disordered doping. For the isotopic superlattice doping method, the completion between the phonon interfacial scattering and phonon tunneling may cause minimum thermal conductivity at the critical period length. This study provides a possible means to effectively reduce the thermal conductivity of thermoelectric SNTs through isotopic doping engineering.
机译:我们使用的分子动力学模拟研究了扶手椅硅酰纳米管(SNTS)中声热导率的同位素掺杂效应。扶手椅SNTS的声火导电性可以用同位素替代有效调整。随机和超晶格结构的同位素掺杂可以显着降低导热性。通过分析声子振动谱,我们揭示了随机同位素掺杂浓度和导热率之间关系的潜在物理见解。鉴于相同的掺杂浓度,超晶格结构掺杂方法可以比无序的掺杂更显着地降低导热率。对于同位素超晶格掺杂方法,声子界面散射和声子隧道之间的完成可以在关键时段长度引起最小的导热率。该研究提供了通过同位素掺杂工程有效地降低热电SNT的热导率。

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