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This work investigated the optical characteristics of an undoped monolayer of molybdenum diselenide (MoSe2), including its absorption coefficient and refractive index. Additionally, doping with Tantalum (Ta) atoms in an undoped MoSe2 were explored to determine the detailed effect on its properties in the context of optoelectronics and photodetection properties. The analysis of refractive index and absorption coefficient of Ta-doped configurations are more suitable for designing of photo-detection devices. Ta-doped MoSe2 monolayer changes its semiconductor properties to almost semi-metallic, making it ideal for use in biosensor application, solar cell and photo-electrochemical cells.

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Analyzing Optical Characteristics of Monolayer MoSe2 with Ta Doping Using DFT Method

  • 会议论文

  • 发表日期：

    2026年

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  • Shubham Gupta,
  • Bramha P. Pandey,
  • Dharmendra Kumar,
  • S. N. Jaiswal

摘要

This work investigated the optical characteristics of an undoped monolayer of molybdenum diselenide (MoSe2), including its absorption coefficient and refractive index. Additionally, doping with Tantalum (Ta) atoms in an undoped MoSe2 were explored to determine the detailed effect on its properties in the context of optoelectronics and photodetection properties. The analysis of refractive index and absorption coefficient of Ta-doped configurations are more suitable for designing of photo-detection devices. Ta-doped MoSe2 monolayer changes its semiconductor properties to almost semi-metallic, making it ideal for use in biosensor application, solar cell and photo-electrochemical cells.