Modeling the destruction of realistic nanotube emitters: Relative role of charging and temperature

To discriminate between the effect of charge and temperature as the main cause of structural changes in nanotube-based field-electron emitters, we performed molecular dynamics simulations of charged singleand multiwall carbon nanotubes under realistic conditions. Our results indicate that cap-terminated nanotubes disintegrate abruptly under critical emission conditions. Disintegration, involving either desorption of cap fragments or a transformation into carbon chains and graphitic flakes, occurs prior to melting and is accelerated by Coulomb repulsion that destabilizes the charged tip.