科研之友
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摘要
We studied the electronic properties of hydrogenated zigzag carbon nanotubes under an electric field, using first-principles total-energy calculations based on density functional theory. By investigating the electrostatic potentials at each atomic site under a parallel electric field, we found that the edge atomic sites of zigzag carbon nanotubes anomalously screen the electric field; the electrostatic potential rapidly oscillates near the edge C atomic sites. We also found that the penetration depth of the anomalous screening depends on the diameter of the nanotubes.
- 出版日期2013-4
