Theoretical Study of Nonlinear Optical and Electronic Properties of Trigonal Carbon-Boron-Nitride Nano Flake

Document Type : Original Article

Author

Chemistry Department, Faculty of Science, Shahid Chamran University of Ahvaz, Ahvaz, Iran

Abstract

In this research, the nonlinear optical and electronic properties of trigonal carbon-boron-nitride nano flake (C40B3N3H18) are investigated through density functional theory (DFT) calculations. Recently, synthesis and studying properties of hybrid carbon-boron-nitride nanostructures have attracted great interest.The obtained results indicate that although the electronic properties are not affected by this substitution, the nonlinear optical response remarkably enhance in the case of nitrogen atom locates at the top of the nano flake. Due to the potential applications of materials with nonlinear optical response in designing optical devices, the obtained results provide new insights in designing optical devices based on carbon-boron-nitride hybrid nanostructures.

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References

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Applied Chemistry Today
Volume 13, Issue 47
June 2018
Pages 187-196

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