Opto-electronic Properties of Small ZnO\(_2\) Nanoparticles: First-Principles Insights

Nguyen Thanh Tien, Dang Minh Triet, Pham Thi Bich Thao
Author affiliations

Authors

  • Nguyen Thanh Tien College of Natural Science, Can Tho University
  • Dang Minh Triet School of Education, Can Tho University
  • Pham Thi Bich Thao College of Natural Science, Can Tho University

DOI:

https://doi.org/10.15625/0868-3166/16674

Keywords:

density functional theory, opto-electronic properties, Zinc peroxide, nanoparticles.

Abstract

We performed density functional theory based first-principles calculations to investigate the opto-electronic properties of small ZnO2 nanoparticles. We have shown that these ZnO2 nanoparticles can exhibit either semiconductor or metallic properties depending on the morphology and sizes of the nanoparticles defined by Miller indices. The absorption spectra computed
from the real and imaginary parts of the dielectric functions demonstrate that these nanoparticles exhibit rich optical features with highly spatial anisotropy in the visible light range, suggesting that these newly obtained configurations strongly influence the electronic structures of ZnO2 nanoparticles. Our results propose the potential application of using Zinc peroxide nanoparicles
as prospective building blocks for developing early diagnosis nanodevices in drug industry.

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Published

05-07-2022

How to Cite

[1]
N. T. Tien, D. M. Triet, and P. T. B. Thao, “Opto-electronic Properties of Small ZnO\(_2\) Nanoparticles: First-Principles Insights”, Comm. Phys., vol. 32, no. 4, p. 423, Jul. 2022.

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