Study the effect of size variation and stability on the electronic and spectroscopic properties of BN wurtzoids- diamantane nanostructure via density functional theory

Electronic and spectroscopic properties of BN derivatives are investigated as a function of the size variation. Energy gap, density of bond are all electronic properties. Similarly, spectroscopic properties such as Raman spectra and IR spectra, force constant and Reduced mass. Our findings compared...

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Veröffentlicht in:	AIP conference proceedings 2022-10, Vol.2400 (1)
Hauptverfasser:	Hussein, Mohammed. T., Abdullah, Bilal A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Cyclohexane Density functional theory Electronic properties Energy gap Infrared spectroscopy Mathematical analysis Nanostructure Raman spectra
Online-Zugang:	Volltext
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