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<p>Semi-conductors of group II–VI have attracted a great deal of attention due to their band structure and electronic properties. They are utilized in optoelectronic devices such as solar cells, Gamma-ray, and optical detectors. Cadmium sulfide (CdS), as a member of this group, is more important because of its wide direct band-gap, high optical transmittance, high resistivity, and low cost. In this study, the electrical and optical properties of CdS nanosheet doped with Ag were investigated based on density functional theory and a semi-potential approach. Simulation and calculations were carried out by Quantum Espresso software, using the GGA approximation. According to the band structures, the result shows that the CdS nanosheet is a semiconductor with a band gap of 1.55 eV, and that doping with Ag atoms reduces this band gap. In addition, our study revealed that doping the Ag atom on the CdS nanosheet has major effects on its optical properties, such as energy loss function and real/imaginary part of dielectric function.</p>

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The Effect of Ag Doping on the Electronic and Optical Properties of CdS Nanosheets

  • 期刊论文

  • 发表日期：

    2025年10月17日

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  • Mahmoud Jafari,
  • Ima Etesami,
  • Mohamad Asadpour,
  • Hossein Yeganeh

摘要

Semi-conductors of group II–VI have attracted a great deal of attention due to their band structure and electronic properties. They are utilized in optoelectronic devices such as solar cells, Gamma-ray, and optical detectors. Cadmium sulfide (CdS), as a member of this group, is more important because of its wide direct band-gap, high optical transmittance, high resistivity, and low cost. In this study, the electrical and optical properties of CdS nanosheet doped with Ag were investigated based on density functional theory and a semi-potential approach. Simulation and calculations were carried out by Quantum Espresso software, using the GGA approximation. According to the band structures, the result shows that the CdS nanosheet is a semiconductor with a band gap of 1.55 eV, and that doping with Ag atoms reduces this band gap. In addition, our study revealed that doping the Ag atom on the CdS nanosheet has major effects on its optical properties, such as energy loss function and real/imaginary part of dielectric function.