کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1787391 | 1023440 | 2012 | 5 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: First-principles study on transport property of peapods First-principles study on transport property of peapods](/preview/png/1787391.png)
The electron transport properties of a (10,10) carbon nanotube (CNT) and a peapod [C60@(10,10)CNT] suspended between Au(111) electrodes are investigated by first-principles calculations based on density functional theory. The contribution of the triply degenerate t1u orbitals of the encapsulated C60 molecule inside the CNT is discussed, and it is revealed that the conductance spectrum of the peapod is similar to that of the CNT except slightly above the Fermi level. One of the triply degenerate t1u orbitals does not contribute to electron transport, while the others form transport channels, resulting in higher conductance than that of the CNT in several energy ranges above the Fermi level.
► First-principles study on electron transport property of carbon nanotube and peapod.
► The conductance spectrum of the peapod is similar to that of carbon nanotube.
► t1u orbitals of the encapsulated C60 contribute to electron transport.
Journal: Current Applied Physics - Volume 12, Supplement 3, December 2012, Pages S100–S104