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Rh修饰的WSe2单层检测变压器油中溶解气体的第一性原理研究

First-Principles Study on Rh-Modified WSe2 Monolayer for Detecting Dissolved Gases in Transformer Oil

  • 摘要: 变压器保护中开展溶解气体传感研究,对保障电力系统安全、降低充油变压器运行风险意义重大。本文基于第一性原理计算,探究 CO、CO?、H?、CH?四种变压器溶解气体在本征及 Rh 修饰 WSe?单层表面的吸附特性。结果表明,Rh 原子掺杂可减小 WSe?带隙、提升气敏性能。通过电荷转移、变形电荷密度、态密度、能带结构及恢复时间等分析发现,Rh-WSe?对 H?具备优良吸附与传感特性。室温 298K 下其恢复时间仅 4.79s,可实现常温重复检测,是理想氢敏材料。本研究为 Rh 掺杂 WSe?应用于变压器故障检测提供了理论依据。

     

    Abstract: Research on dissolved gas sensing in transformer protection is of great significance for ensuring the safe operation of power systems and reducing the operation risks of oil-filled transformers. Based on first-principles calculations, this paper investigates the adsorption characteristics of four dissolved gases (CO, CO?, H? and CH?) in transformer oil on the surfaces of pristine and Rh-modified WSe? monolayers. The results show that Rh atom doping can reduce the band gap of WSe? and improve its gas sensing performance. Analyses of charge transfer, deformation charge density, density of states, band structure and recovery time reveal that the Rh-WSe? system exhibits excellent adsorption capacity and sensing performance for H?. At room temperature of 298 K, its recovery time is only 4.79 s, enabling repeated detection at ambient temperature, which makes it an ideal hydrogen-sensitive material. This study provides a theoretical basis for the application of Rh-doped WSe? in transformer fault detection.

     

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