PREPARATION AND INVESTIGATION OF THE ADSORPTION EFFECTS OF CO2 ON THE HARDNESS OF THE SWCNT (8,0) BY GAP HOMO-LUMO

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TAVAKOLI KH.; KESHAVARZ M.; KAZEMI A.

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

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Paper Information

Journal: International Journal of Nano Dimension Year:2012 | Volume:2 | Issue:4 (8) Page(s): 281-284

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Title

PREPARATION AND INVESTIGATION OF THE ADSORPTION EFFECTS OF CO2 ON THE HARDNESS OF THE SWCNT (8,0) BY GAP HOMO-LUMO

Author(s)

TAVAKOLI KH. | KESHAVARZ M. | KAZEMI A. | Issue Writer Certificate

Keywords

HARDNESS

SWCNT

DFT

HOMO-LUMO

DOS

Abstract

In this study the HARDNESS SWCT was calculated with B3LYP,HF method and 3-21G,6-31G,6-311G basis set .Then it was investigated with the best method(B3LYP) and basis set(6-31G) to study the adsorption effects CO2 on the HARDNESS of SWCNT with gap HOMO-LUMO in two shape: Horizontal, Vertical and Top-Center-Bridge and We also provide the effects of CO2 adsorption on the electronic properties(DOS) of the CNTs. The soft wares which were used in this study were Gaussian 03 w, Gauss view 5.0w and Nano tub modeler. The Purpose of this study is to compare the effects of the basis set & CO2 adsorption on the HARDNESS of SWCNT (8, 0) in gases phase.

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References

THE EFFECT IF GAS ADSORPTION IN THE FIELD EMISSION MECHANISM OF CARBON NANOTUBES

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APA: Copy

TAVAKOLI, KH., KESHAVARZ, M., & KAZEMI, A.. (2012). PREPARATION AND INVESTIGATION OF THE ADSORPTION EFFECTS OF CO₂ ON THE HARDNESS OF THE SWCNT (8,0) BY GAP HOMO-LUMO. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), 2(4 (8)), 281-284. SID. https://sid.ir/paper/322101/en

Vancouver: Copy

TAVAKOLI KH., KESHAVARZ M., KAZEMI A.. PREPARATION AND INVESTIGATION OF THE ADSORPTION EFFECTS OF CO₂ ON THE HARDNESS OF THE SWCNT (8,0) BY GAP HOMO-LUMO. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND)[Internet]. 2012;2(4 (8)):281-284. Available from: https://sid.ir/paper/322101/en

IEEE: Copy

KH. TAVAKOLI, M. KESHAVARZ, and A. KAZEMI, “PREPARATION AND INVESTIGATION OF THE ADSORPTION EFFECTS OF CO₂ ON THE HARDNESS OF THE SWCNT (8,0) BY GAP HOMO-LUMO,” INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), vol. 2, no. 4 (8), pp. 281–284, 2012, [Online]. Available: https://sid.ir/paper/322101/en

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