| Abstract: | The highest occupied molecular orbital(HOMO) energies of fullerenes are found by quantitative first-principles calculations to be raised by negative charging, and the rising rate rank of the fullerenes is C_(60) C_(70) C_(80) C_(90)C_(100) C_(180). Then we compare fullerenes with carbon nanotubes(CNTs) and graphene sheets(GSs) and find that the increase of the HOMO energy of a fullerene is much faster than that of CNTs and graphene sheets with the same number of C atoms. The rising rate rank is fullereneCNTGS, which holds no matter what the number of C atoms is or which structure the fullerene isomer is. This work paves a new path for developing all-carbon devices with low-dimensional carbon nanomaterials as different functional elements. |
