Density functional theory is used to study carbon nanotubes grown inside a channel-like environment. Two types of systems were investigated: the zigzag nanotubes inside AlPO4-5 zeolite (AFI) channels and the achiral double-walled nanotubes. In this work the energetical stability of the selected systems is evaluated and the shifting and splitting of the phonons, especially the radial-breathing mode is analyzed in a more detail.
Iñigo Martín-Fernández, Gemma Rius, Pedro Atienzar, Laura Teruel, N. Mestres, Francesc Pérez‐Murano, Hermenegildo Garcı́a, Philippe Godignon, Avelino Avelino, E. Lora‐Tamayo
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