The energy characteristics and structure of carbon nanoscrolls

Resumo

The structure and energy characteristics of carbon nanoscrolls formed from a rectangular graphene ribbon have been studied using semianalytical and numerical calculations. Geometric parameters of the initial graphene ribbon are determined for which stable and energetically favorable nanoscrolls can be obtained. Energy barriers for rolling the graphene ribbon up into a nanoscroll and unrolling it back, as well as the nanoscroll lifetime in a stable state have been estimated. It is established that nanoscrolls with layer overlap lengths of about 1 nm are stable at room temperature.