Selective Cap Opening in Carbon Nanotubes Driven by Laser-Induced Coherent Phonons

We demonstrate the possibility of a selective nonequilibrium cap opening of carbon nanotubes as a response to femtosecond laser excitation. By performing molecular dynamics simulations based on a microscopic electronic model we show that the laser-induced ultrafast structural changes differ dramatically from the thermally induced dimer emission. Ultrafast bond weakening and simultaneous excitation of two coherent phonon modes of different frequencies, localized in the spherical caps and cylindrical nanotube body, are responsible for the selective cap opening.