Chirality-dependent, van der Waals-London dispersion interactions of carbon nanotube systems

[摘要] (cont.) This was solved by using an ab initio method to obtain this data for 63 SWCNTs and a few MWCNTs. The results showed a clear chirality AND direction dependence that is unique to each [n,m]. Lifshitz and spectral mixing formulations were then derived and introduced respectively for obtaining accurate Hamaker coefficients and vdW-Ld total energies for these optically anisotropic SWCNTs at both the near and far-limits. With the infrastructure in place, it was now possible to study the trends and breakdowns over a large population as a function of SWCNT class and chirality. A thorough analysis of all these properties at all levels of abstraction yielded a new classification system specific to the vdW-Ld properties of SWCNTs. Additionally, the use of this data and an understanding of the qualitative trends makes it straightforward to design experiments that target, trap, and/or separate specific SWCNTs as a function of SWCNT class, radius, etc.

[发布机构] Massachusetts Institute of Technology