مطالعه پایداری و فاصله درون جداری نانولولههای دو جداره سیلیکون کارباید (0، 6)@( n ، 0) با روش vdW-DFT
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Abstract:
In this work, the stability and electronic structure of zigzag double-walled silicon carbide nanotubes (DWSiCNTs) (6,0)@(n,0) (with n=11-17) were investigated by using ab initio Van der Waals density functional. By calculating the formation energy and the binding energy of each double walled nanotube, the best interwall distance for the outer nanotube was indicated. The results revealed that (13,0) nanotube could be the best external nanotube for the (6,0) internal nanotube with 3.53 Åinterwall distance to make (6,0)@(13,0) DWSiCNT. The structural calculations also revealed that all studied silicon carbide nanotubes were semiconductors and their energy gap decreased from the single one to the double-walled one. Moreover, with raising the nanotube diameter, the energy gap increased, such that at the most stable double-walled nanotube, its value was about 0.216 eV.
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Christopher H. Wheeler is a research officer in the Research division of the Bank. He previously was an assistant professor of economics at Tulane University in New Orleans. Wheeler received his doctoral and master’s degrees in economics from the University of Wisconsin-Madison in 1998 and 1995, respectively, and his bachelor’s degree in economics from Colby College in Waterville, Maine, in 199...
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Journal title
volume 18 issue 4
pages 705- 711
publication date 2019-03
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