DENSITY FUNCTIONAL THEORY STUDIES OF DEFECTS IN THE (5, 5) SILICON NANOTUBE

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ILKHANI M.; MIRZAEI M.

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

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Paper Information

Journal: JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY Year:2011 | Volume:7 | Issue:4 Page(s): 241-244

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Title

DENSITY FUNCTIONAL THEORY STUDIES OF DEFECTS IN THE (5, 5) SILICON NANOTUBE

Author(s)

ILKHANI M. | MIRZAEI M. | Issue Writer Certificate

Keywords

SILICONQ2

NANOTUBEQ2

DEFECTQ3

DENSITY FUNCTIONAL THEORYQ1

Abstract

We have performed DENSITY FUNCTIONAL THEORY (DFT) calculations to investigate the properties of DEFECT in a representative armchair model of SILICON NANOTUBEs (SiNTs). To this aim, the structures of pristine and DEFECTive (5, 5) SiNTs have been optimized and the properties such as bond lengths, total energies, binding energies, formation energies, gap energies, and dipole moments have been evaluated for the optimized structures. The results indicate that the evaluated properties could yield the effects of the DEFECT on the properties of pristine SiNT.

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APA: Copy

ILKHANI, M., & MIRZAEI, M.. (2011). DENSITY FUNCTIONAL THEORY STUDIES OF DEFECTS IN THE (5, 5) SILICON NANOTUBE. JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY, 7(4), 241-244. SID. https://sid.ir/paper/207676/en

Vancouver: Copy

ILKHANI M., MIRZAEI M.. DENSITY FUNCTIONAL THEORY STUDIES OF DEFECTS IN THE (5, 5) SILICON NANOTUBE. JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY[Internet]. 2011;7(4):241-244. Available from: https://sid.ir/paper/207676/en

IEEE: Copy

M. ILKHANI, and M. MIRZAEI, “DENSITY FUNCTIONAL THEORY STUDIES OF DEFECTS IN THE (5, 5) SILICON NANOTUBE,” JOURNAL OF PHYSICAL AND THEORETICAL CHEMISTRY, vol. 7, no. 4, pp. 241–244, 2011, [Online]. Available: https://sid.ir/paper/207676/en

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