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Rezumat articol ediţie STUDIA UNIVERSITATIS BABEŞ-BOLYAI
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Rezumat: Electronic properties of an electron-beam (EB)-induced C60 polymer, which is a new polyhedral structured (peanut-shaped) carbon nanomaterial, are presented. The current-voltage characteristics indicated that the peanut-shaped polymer exhibit metallic characters in air at room temperature. Valence photoelectron spectra of the polymer showed that the electronic structure of the C60 film became closer to that of graphite as the EB-irradiation time increased, and its density of states around the Fermi level was eventually greater than for the graphite. This suggests that the electronic structure of the C60 film changed from a semiconductor to a semi-metal and/or metal by EB irradiation. Interestingly, the electronic structure remained metallic even after 5-days of air exposure, which is the reason for the metallic electron-transport property described above. In order to elucidate the origin of the metallic properties, we have performed density-functional calculations of a peanut-shaped C120 dimer regarded as a basic unit of the polymer. It was found that the HOMO consisting of electrons orbital, which is related to the electron transport property, has no nodes in the cross-linkage region between C60 molecules and spreads over the peanut-shaped dimer, indicating that electrons move freely from one to another side. |
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