Scholarlink

This study investigates the adsorption and detection performance of transition metal Co-modified WS2 for typical SF6 decomposition products (H2S, SO2, and SOF2). The research reports the reaction mechanism based on first-principles density functional theory (DFT), including adsorption energy, band structure, charge density difference (CDD), density of states (DOS), and molecular orbital aspects. Furthermore, the desorption performance is combined to further explore the practical application possibilities. The results demonstrate that Co-modified WS2 significantly enhances the adsorption performance of H2S, SO2, and SOF2 to strong chemical adsorption.

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Adsorption and Sensing Performances of H2S, SO2, and SOF2 on Co Modified WS2 Monolayers, DFT Study

  • 会议论文

  • 发表日期：

    2025年

查看全文
  • Ding Zhou,
  • Liang Huang,
  • Zheng Cheng,
  • Jun Huang,
  • Haoming Zhang,
  • Qu Zhou

摘要

This study investigates the adsorption and detection performance of transition metal Co-modified WS2 for typical SF6 decomposition products (H2S, SO2, and SOF2). The research reports the reaction mechanism based on first-principles density functional theory (DFT), including adsorption energy, band structure, charge density difference (CDD), density of states (DOS), and molecular orbital aspects. Furthermore, the desorption performance is combined to further explore the practical application possibilities. The results demonstrate that Co-modified WS2 significantly enhances the adsorption performance of H2S, SO2, and SOF2 to strong chemical adsorption.