THEORETICAL COMPARISON OF THERMODYNAMIC PARAMETERS, NMRANALYSIS, ELECTRONIC PROPERTIES OF BORON NITRIDE AND ALUMINUMNITRIDE NANOTUBES

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

KHALEGHIAN MEHRNOOSH; AZARAKHSHI FATEMEH

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

Journal Paper

Paper Information

Journal: International Journal of Nano Dimension Year:2019 | Volume:10 | Issue:1 Page(s): 105-113

Download Full-Text

View:

223

Download:

177

Cites:

Information Journal Paper

Title

THEORETICAL COMPARISON OF THERMODYNAMIC PARAMETERS, NMRANALYSIS, ELECTRONIC PROPERTIES OF BORON NITRIDE AND ALUMINUMNITRIDE NANOTUBES

Author(s)

KHALEGHIAN MEHRNOOSH | AZARAKHSHI FATEMEH | Issue Writer Certificate

Keywords

ALNNT

BNNT

CHEMICAL SHIELDING

DFT

ISOTROPIC

NANOTUBE

NMR

Abstract

In this research, geometrical structures of armchair single walled boron nitride NANOTUBE (SWBNNT) andarmchair single walled aluminum nitride NANOTUBE (SWALNNT) were optimized by Density FunctionalTheory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G*level of theory have been used to determine and compare electronic properties, natural charge and chemicalshielding tensors of NANOTUBEs. The CHEMICAL SHIELDING tensors were calculated using GIAO method to obtainstructural information and dynamic behavior for optimal boron nitride and aluminum nitride NANOTUBEstructures. Also, thermodynamic functions for the boron nitride NANOTUBE (9, 9-5) and the aluminum nitrideNANOTUBE (9, 9-5) in the gas phase were carried out with using the B3LYP method and 6-31g* basis set. It issignificant that all of NMR parameters and geometrical properties of both NANOTUBEs were determined in 5layers.

Cites

No record.

References

No record.

Cite

APA: Copy

KHALEGHIAN, MEHRNOOSH, & AZARAKHSHI, FATEMEH. (2019). THEORETICAL COMPARISON OF THERMODYNAMIC PARAMETERS, NMRANALYSIS, ELECTRONIC PROPERTIES OF BORON NITRIDE AND ALUMINUMNITRIDE NANOTUBES. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), 10(1), 105-113. SID. https://sid.ir/paper/322424/en

Vancouver: Copy

KHALEGHIAN MEHRNOOSH, AZARAKHSHI FATEMEH. THEORETICAL COMPARISON OF THERMODYNAMIC PARAMETERS, NMRANALYSIS, ELECTRONIC PROPERTIES OF BORON NITRIDE AND ALUMINUMNITRIDE NANOTUBES. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND)[Internet]. 2019;10(1):105-113. Available from: https://sid.ir/paper/322424/en

IEEE: Copy

MEHRNOOSH KHALEGHIAN, and FATEMEH AZARAKHSHI, “THEORETICAL COMPARISON OF THERMODYNAMIC PARAMETERS, NMRANALYSIS, ELECTRONIC PROPERTIES OF BORON NITRIDE AND ALUMINUMNITRIDE NANOTUBES,” INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), vol. 10, no. 1, pp. 105–113, 2019, [Online]. Available: https://sid.ir/paper/322424/en

Related Journal Papers

No record.

Related Seminar Papers

No record.

Related Plans

No record.

Recommended Workshops