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We theoretically studied the electronic and electrical properties of metallic and semiconducting peapods with encapsulated C_{60} (C_{60}@CNT) as a function of the carbon nanotube (CNT) diameter. For exothermic peapods (CNT diameter > 11.8 A), only minor changes, ascribed to a small structural deformation of the nanotube walls, were observed. These include a small electron charge transfer (less than 0.10 electron) from the CNT to the C_{60} molecules and a poor mixing of the C_{60} orbitals with those of the CNT. Decreasing the diameter of the nanotube leads to a modest increase of the charge density located between the C_{60}s. More significant changes are obtained for endothermic peapods (CNT diameter < 11.8 A). We observe a large electron charge transfer from C_{60} to the tube, and a drastic change in electron transport characteristics and electronic structure. These results are discussed in terms of pi-pi interaction and C_{60} symmetry breaking.
We measure the conductance of carbon nanotube peapods from room temperature down to 250mK. Our devices show both metallic and semiconducting behavior at room temperature. At the lowest temperatures, we observe single electron effects. Our results sug
We present a study on the quantum transport properties of chemically functionalized metallic double-walled carbon nanotubes (DWNTs) with lengths reaching the micrometer scale. First-principles calculations evidence that, for coaxial tubes separated b
The phonon properties, electronic structures and optical properties of novel carbon allotropes, such as monolayer penta-graphene (PG), double-layer PG and T12-carbon, were explored by means of first-principles calculations. Results of phonon calculat
We investigated a suspended bilayer graphene where the bottom (top) layer is doped by boron (nitrogen) substitutional atoms by using Density Functional Theory (DFT) calculations. We found that at high dopant concentration (one B-N pair every 32 C ato
New forms of carbon-based materials have received great attention, and the developed materials have found many applications in nanotechnology. Interesting novel carbon structures include the carbon peapods, which are comprised of fullerenes encapsula