10.1186/2228-5326-3-14

Lithium metasilicate and lithium disilicate nanomaterials: optical properties and density functional theory calculations

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  • Abdolali Alemi1,
  • Shahin Khademinia*1,
  • Sang Woo Joo2,
  • Mahboubeh Dolatyari3,
  • Akbar Bakhtiari4,
  1. Department of Inorganic Chemistry, Faculty of Chemistry, University of Tabriz, Tabriz, IR
  2. School of Mechanical Engineering WCU Nano Research Center, Yeungnam University, Gyeongsan, 712-749, KR
  3. Laboratory of Photonics and Nano Crystals, School of Engineering-Emerging Technologies, University of Tabriz, Tabriz, IR
  4. Department of Chemistry, Payame Noor University, Tehran, 19395-4697, IR
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Published in Issue 2013-03-12

How to Cite

Alemi, A., Khademinia, S., Joo, S. W., Dolatyari, M., & Bakhtiari, A. (2013). Lithium metasilicate and lithium disilicate nanomaterials: optical properties and density functional theory calculations. International Nano Letters, 3(1 (December 2013). https://doi.org/10.1186/2228-5326-3-14
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Abstract

Abstract UV–vis and photoluminescence spectra of the hydrothermally synthesized crystalline lithium metasilicate (Li 2 SiO 3 ) and lithium disilicate (Li 2 Si 2 O 5 ) nanomaterials are studied. The intensity of the bands in the emission spectra increases with increasing reaction time in both compounds. The electronic band structure along with density of states calculated by the density functional theory (DFT) method indicates that Li 2 SiO 3 and Li 2 Si 2 O 5 have an indirect energy band gap of 4.575 and 4.776 eV respectively. The optical properties, including the dielectric, absorption, reflectivity, and energy loss spectra of the compounds, are calculated by DFT method and analyzed based on the electronic structures.

Keywords

  • Lithium silicates,
  • Nanomaterials,
  • Optical properties,
  • DFT calculations
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