Longhurst M J, Quirke N
Department of Chemistry, Imperial College, London SW7 2AY, United Kingdom.
Phys Rev Lett. 2007 Apr 6;98(14):145503. doi: 10.1103/PhysRevLett.98.145503. Epub 2007 Apr 5.
The pressure dependence of shifts in the vibrational modes of individual carbon nanotubes is strongly affected by the nature of the pressure transmitting medium as a result of adsorption at the nanotube surface. The adsorbate is treated as an elastic shell which couples with the radial breathing mode (RBM) of the nanotube via van der Waal interactions. Using analytical methods as well as molecular simulation, we observe a low frequency breathing mode for the adsorbed fluid at approximately 50 cm-1, as well as diameter dependent upshifts in the RBM frequency with pressure, suggesting metallic nanotubes may wet more than semiconducting ones.
由于在纳米管表面的吸附作用，单个碳纳米管振动模式的位移对压力的依赖性受到压力传递介质性质的强烈影响。吸附质被视为一个弹性壳，它通过范德华相互作用与纳米管的径向呼吸模式（RBM）耦合。使用分析方法以及分子模拟，我们观察到吸附流体在约50 cm-1处有一个低频呼吸模式，以及RBM频率随压力的直径依赖性上移，这表明金属纳米管可能比半导体纳米管更易被浸湿。
