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<p>Oil-immersed voltage transformers are critical components in power systems, and dissolved gas analysis (DGA) serves as an effective technique for early fault monitoring through typical gas detection. In this work, the geometric, electronic, and gas adsorption properties of pristine, S-defected, and Ni-doped GeS<sub>2</sub> monolayers are systematically investigated using first-principles calculations, in which Ni-doping is conducted at the S vacancy of the GeS<sub>2</sub> monolayer. The analysis of adsorption configurations reveals physisorption in pristine and S-defected monolayers, while chemisorption in Ni-doped GeS<sub>2</sub> systems, with a consistent trend of stronger interaction with C<sub>2</sub>H<sub>2</sub> than CO across all three systems. Electronic structure and recovery property analyses indicate the strong potential of Ni-GeS<sub>2</sub> monolayer for the sensitive and reversible detection of CO, with an optimal balance between adsorption strength and thermal recoverability. These insights reveal that Ni-doping can not only enhance CO adsorption by strong covalent interactions, but also enable feasible desorption under moderate heating. This work provide an atomic-level understanding of gas-surface interactions and establish a rational design strategy for developing GeS<sub>2</sub>-based sensors for early fault diagnosis in oil-immersed voltage transformers.</p>

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Tuned sensing performance of GeS2 monolayers upon CO and C2H2 in oil-immersed voltage transformers: a first-principles comparison among pristine, S-defected, and Ni-doped surfaces

  • 期刊论文

  • 发表日期：

    2026年3月4日

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  • Liu Sun,
  • Run Fang,
  • Jinkun Li,
  • Ye Wang,
  • Guozhi Zhang

摘要

Oil-immersed voltage transformers are critical components in power systems, and dissolved gas analysis (DGA) serves as an effective technique for early fault monitoring through typical gas detection. In this work, the geometric, electronic, and gas adsorption properties of pristine, S-defected, and Ni-doped GeS2 monolayers are systematically investigated using first-principles calculations, in which Ni-doping is conducted at the S vacancy of the GeS2 monolayer. The analysis of adsorption configurations reveals physisorption in pristine and S-defected monolayers, while chemisorption in Ni-doped GeS2 systems, with a consistent trend of stronger interaction with C2H2 than CO across all three systems. Electronic structure and recovery property analyses indicate the strong potential of Ni-GeS2 monolayer for the sensitive and reversible detection of CO, with an optimal balance between adsorption strength and thermal recoverability. These insights reveal that Ni-doping can not only enhance CO adsorption by strong covalent interactions, but also enable feasible desorption under moderate heating. This work provide an atomic-level understanding of gas-surface interactions and establish a rational design strategy for developing GeS2-based sensors for early fault diagnosis in oil-immersed voltage transformers.