MODULATING BAND GAP AND HOCO/LUCO ENERGY OF BORON-NITRIDE NANOTUBES UNDER A UNIFORM EXTERNAL ELECTRIC FIELD

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.

NAJAFPOUR JAMSHID

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

Journal Paper

Paper Information

Journal: Iranian Journal of Chemistry and Chemical Engineering Year:2017 | Volume:36 | Issue:6 Page(s): 93-106

Download Full-Text

View:

345

Download:

207

Cites:

Information Journal Paper

Title

MODULATING BAND GAP AND HOCO/LUCO ENERGY OF BORON-NITRIDE NANOTUBES UNDER A UNIFORM EXTERNAL ELECTRIC FIELD

Author(s)

NAJAFPOUR JAMSHID | Issue Writer Certificate

Keywords

MOLECULAR TRANSISTOR

NANO-TRASNSISTOR

MOLECULAR DIODE

NANO-DIODE

BORON-NITRIDE NANOTUBE

PBC

Abstract

In this study, spectroscopic properties of the single-walled BORON-NITRIDE NANOTUBE (SWBNNT) –a semiconductor channel in MOLECULAR DIODEs and MOLECULAR TRANSISTORs–have been investigated under field-free and various applied electric fields by first principle methods. Our analysis shows that increasing the electric field in BORON-NITRIDE NANOTUBE (BNNT) decreases the Highest Occupied Crystal Orbital (HOCO) /Lowest Unoccupied Crystal Orbital (LUCO) gap (HLG) significantly and the nanotube can be a conductor. The observed results suggest that the BNNTs is a useful semiconductor channel as nano-molecular diodes and nano-MOLECULAR TRANSISTORs. Apart from that, the relationship between isotropic chemical shielding as an observable spectroscopic property with atomic charge and magnetizability in the presence and absence of an external electric field was studied. In order to rationalize energy changes, the relationship between the relative energy with the average electron delocalization of nitrogen and boron atoms with a variation of the external electric field is studied.

Cites

No record.

References

THE STRUCTURE AND CHEMICAL BOND OF FOX-7: THE AIM ANALYSIS AND VIBRATIONAL NORMAL MODES

Cite

APA: Copy

NAJAFPOUR, JAMSHID. (2017). MODULATING BAND GAP AND HOCO/LUCO ENERGY OF BORON-NITRIDE NANOTUBES UNDER A UNIFORM EXTERNAL ELECTRIC FIELD. IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE), 36(6), 93-106. SID. https://sid.ir/paper/714392/en

Vancouver: Copy

NAJAFPOUR JAMSHID. MODULATING BAND GAP AND HOCO/LUCO ENERGY OF BORON-NITRIDE NANOTUBES UNDER A UNIFORM EXTERNAL ELECTRIC FIELD. IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE)[Internet]. 2017;36(6):93-106. Available from: https://sid.ir/paper/714392/en

IEEE: Copy

JAMSHID NAJAFPOUR, “MODULATING BAND GAP AND HOCO/LUCO ENERGY OF BORON-NITRIDE NANOTUBES UNDER A UNIFORM EXTERNAL ELECTRIC FIELD,” IRANIAN JOURNAL OF CHEMISTRY AND CHEMICAL ENGINEERING (IJCCE), vol. 36, no. 6, pp. 93–106, 2017, [Online]. Available: https://sid.ir/paper/714392/en

Related Journal Papers

No record.

Related Seminar Papers

No record.

Related Plans

No record.

Recommended Workshops