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

video

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

sound

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

Persian Version

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

View:

214
Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Download:

295
Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Cites:

Information Journal Paper

Title

DFT INVESTIGATIONS FOR SENSING CAPABILITY OF A SINGLE-WALLED CARBON NANOTUBE FOR ADSORPTIONS H2, N2, O2 AND CO MOLECULES

Pages

  82-88

Abstract

 Single-walled carbon nanotubes (SWCNTs) have a great deal of attention due to their unique properties. These properties of SWCNTs can be used in various devices such as nanosensors. SWCNTs nanosensors have fast response time and high sensitivity to special gas molecules which is very favorable for important applications. Recently, gas adsorption over outer surface of SWCNTs nanosensors was arguably a very interesting theoretical study. Here, the SENSING CAPABILITY of (6, 0) SWCNTs for adsorption H2, N2, O2 and CO molecules are studied. The geometry optimization, electronic, thermodynamic, and vibrational properties have been investigated. All the calculations are based on the density functional theory (DFT) at the B3LYP/6- 31G level through the Gaussian 09W program package. It is found that, adding these molecules to SWCNT causing a small increase in the bond lengths, and an increase in the total energy. In IR SPECTRA, it is observed increasing the vibration modes and higher stretching vibration wave numbers of SWCNT with the studies molecules. This work confirms that (6, 0) SWCNT can be used as nanosensor, and using DFT investigations, it is possible to obtain much more data to apply in medical science and industrial technologies.

Cites

  • No record.

    • References

    Cite

    APA: Copy

    KHUDHAIR, ALAA M., AJEEL, FOUAD N., & MOHAMMED, MOHAMMED H.. (2017). DFT INVESTIGATIONS FOR SENSING CAPABILITY OF A SINGLE-WALLED CARBON NANOTUBE FOR ADSORPTIONS H2, N2, O2 AND CO MOLECULES. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), 8(1), 82-88. SID. https://sid.ir/paper/322367/en

    Vancouver: Copy

    KHUDHAIR ALAA M., AJEEL FOUAD N., MOHAMMED MOHAMMED H.. DFT INVESTIGATIONS FOR SENSING CAPABILITY OF A SINGLE-WALLED CARBON NANOTUBE FOR ADSORPTIONS H2, N2, O2 AND CO MOLECULES. INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND)[Internet]. 2017;8(1):82-88. Available from: https://sid.ir/paper/322367/en

    IEEE: Copy

    ALAA M. KHUDHAIR, FOUAD N. AJEEL, and MOHAMMED H. MOHAMMED, “DFT INVESTIGATIONS FOR SENSING CAPABILITY OF A SINGLE-WALLED CARBON NANOTUBE FOR ADSORPTIONS H2, N2, O2 AND CO MOLECULES,” INTERNATIONAL JOURNAL OF NANO DIMENSION (IJND), vol. 8, no. 1, pp. 82–88, 2017, [Online]. Available: https://sid.ir/paper/322367/en

    Related Journal Papers

  • No record.

    • Related Seminar Papers

  • No record.

    • Related Plans

  • No record.

    • Recommended Workshops






    Move to top