期刊
ACS NANO
卷 4, 期 7, 页码 4011-4016出版社
AMER CHEMICAL SOC
DOI: 10.1021/nn101111b
关键词
Peapods; fullerenes; SWNTs; chirality; HRTEM
类别
资金
- Violette and Samuel Glasstone Fund
- Brasenose College, University of Oxford
We show that when Y@C-82 metallofullerenes are inserted into single-walled carbon nanotubes (SWNTs) with large diameters of 2 nm, the minimum energy configuration is a double-helix chiral structure extending over hundreds of nanometers. We demonstrate rotation of the double-helix fullerene chain within the nanotube host that induces real time elastic distortions of the nanotube in a crank-shaft manner. Molecular dynamics simulations, employing an atomic description of the confining SWNT and a reduced description of Y@C-82, reproduce the key experimental observations.
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