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Information Journal Paper

Title

DFT/TDDFT STUDY OF ELECTRONIC AND OPTICAL PROPERTIES OF SURFACEPASSIVATED SILICON NANOCRYSTALS, SIN (N 5 20, 24, 26 AND 28)

Pages

  195-203

Abstract

 Density functional theory and Time-dependent density functional theory (TDDFT) -based calculations were performed on surface-passivated SILICON NANOCRYSTALS (SPSNs) of different sizes. The SURFACE PASSIVATION was achieved using H, F and Cl atoms. Various properties of the resulting optimized structures SinHn, Sin Hn-1F and SinHn-1Cl (n=20, 24, 26 and 28) like binding Energy, dipole moment, HOMO–LUMO gap, vibrational IR spectra and absorption wavelengths were determined. SURFACE PASSIVATION studies reveal that all the SPSNs are insulators...

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    APA: Copy

    CHOPRA, S., & RAI, B.. (2015). DFT/TDDFT STUDY OF ELECTRONIC AND OPTICAL PROPERTIES OF SURFACEPASSIVATED SILICON NANOCRYSTALS, SIN (N 5 20, 24, 26 AND 28). JOURNAL OF NANOSTRUCTURE IN CHEMISTRY, 5(2), 195-203. SID. https://sid.ir/paper/333186/en

    Vancouver: Copy

    CHOPRA S., RAI B.. DFT/TDDFT STUDY OF ELECTRONIC AND OPTICAL PROPERTIES OF SURFACEPASSIVATED SILICON NANOCRYSTALS, SIN (N 5 20, 24, 26 AND 28). JOURNAL OF NANOSTRUCTURE IN CHEMISTRY[Internet]. 2015;5(2):195-203. Available from: https://sid.ir/paper/333186/en

    IEEE: Copy

    S. CHOPRA, and B. RAI, “DFT/TDDFT STUDY OF ELECTRONIC AND OPTICAL PROPERTIES OF SURFACEPASSIVATED SILICON NANOCRYSTALS, SIN (N 5 20, 24, 26 AND 28),” JOURNAL OF NANOSTRUCTURE IN CHEMISTRY, vol. 5, no. 2, pp. 195–203, 2015, [Online]. Available: https://sid.ir/paper/333186/en

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