ELECTRICAL AND OPTICAL PROPERTIES OF A SMALL CAPPED (5, 0) ZIGZAG CARBON NANOTUBE BY B, N, GE AND SN ATOMS: DFT THEORETICAL CALCULATION

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KAMALIAN MONIR; ABBASI AFSHIN; SEYED JALILI YOUSEF

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Journal: International Journal of Nano Dimension Year:2016 | Volume:7 | Issue:4 Page(s): 329-335

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Title

ELECTRICAL AND OPTICAL PROPERTIES OF A SMALL CAPPED (5, 0) ZIGZAG CARBON NANOTUBE BY B, N, GE AND SN ATOMS: DFT THEORETICAL CALCULATION

Author(s)

KAMALIAN MONIR | ABBASI AFSHIN | SEYED JALILI YOUSEF | Issue Writer Certificate

Keywords

AB INITO CALCULATION

CARBON NANOTUBE

ELECTRICAL CONDUCTIVITY

P-N JUNCTION

TD-DFT CALCULATION

Abstract

In this study we investigate the effect of atoms such as B, N, Ge and Sn on the optical and the electrical properties of capped (5, 0) zigzag CARBON NANOTUBE, using DFT calculation method. These elements were attached to the one end of the CARBON NANOTUBE. We considered four different structure designs as possible candidates for a P-N JUNCTION device. The electrical properties of these structures were investigated using the quantum chemical information analysis which leads to the energy band gap, dipole moments, electrical charges and the DOS of these structures. Further TD-DFT CALCULATIONs were performed to obtain the optical properties of the structure designs to investigate the electron mobility, indicating higher conductivity and higher rectifying voltage in the CNT terminated by Sn.

Cites

PREDICTION OF THE CARBON NANOTUBE QUALITY USING ADAPTIVE NEURO–FUZZY INFERENCE SYSTEM

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APA: Copy

KAMALIAN, MONIR, ABBASI, AFSHIN, & SEYED JALILI, YOUSEF. (2016). ELECTRICAL AND OPTICAL PROPERTIES OF A SMALL CAPPED (5, 0) ZIGZAG CARBON NANOTUBE BY B, N, GE AND SN ATOMS: DFT THEORETICAL CALCULATION. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), 7(4), 329-335. SID. https://sid.ir/paper/322341/en

Vancouver: Copy

KAMALIAN MONIR, ABBASI AFSHIN, SEYED JALILI YOUSEF. ELECTRICAL AND OPTICAL PROPERTIES OF A SMALL CAPPED (5, 0) ZIGZAG CARBON NANOTUBE BY B, N, GE AND SN ATOMS: DFT THEORETICAL CALCULATION. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND)[Internet]. 2016;7(4):329-335. Available from: https://sid.ir/paper/322341/en

IEEE: Copy

MONIR KAMALIAN, AFSHIN ABBASI, and YOUSEF SEYED JALILI, “ELECTRICAL AND OPTICAL PROPERTIES OF A SMALL CAPPED (5, 0) ZIGZAG CARBON NANOTUBE BY B, N, GE AND SN ATOMS: DFT THEORETICAL CALCULATION,” INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), vol. 7, no. 4, pp. 329–335, 2016, [Online]. Available: https://sid.ir/paper/322341/en

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