Abstract

Detecting SF6 decomposed species by chemical gas sensors has been accepted as a workable method to estimate the operation status of insulation devices in electrical engineering. Functioned by transition metals, carbon nanotubes (CNTs) would be provided with enhanced sensitivity and response towards gas molecules due to the high catalytic activity of metals for gas interaction. This has been the focus of attention in recent years. In this paper, the adsorption of three SF6 decomposed components (SO2F2, SO2 and H2S) onto Pt-doped CNT were simulated based on density function theory method. Results indicated that Pt-CNT has the best sensitivity to H2S causing remarkably conductivity change accordingly, followed by SO2, and the last one comes to SO2F2. Pt dopant exerts great impacts on adsorption of gas molecules onto CNT surface through providing active adsorption sites for CNT support. Our calculation results would be meaningful to suggest advanced sensing materials being applied in the field of electrical engineering.

Highlights

  • In a long-running SF6 insulating devices, inevitable defects would cause the decomposition of SF6; and subsequently,[1] the by-products of SF6 would react in the presence of oxygen and trace water, forming several species including SO2F2, SO2 and H2S.2–5 It has been proved that the existence of such impurities would deteriorate the insulation performances of SF6 and lead to the possible paralysis of the power system.[6]

  • The results suggested that the Pt-Carbon nanotubes (CNTs) surface possesses pretty good performances to H2S and SO2, indicating its strong potential being prepared as a practical sensor in the field of electrical engineering

  • When SO2F2 approaches to the Pt-doped CNT (Pt-CNT) with two O atoms oriented seen in Fig. 2(b), it can be observed that the Pt-C bond gets much longer (2.110 Å) compared with that in two F oriented system (2.051 Å), and that the O atom is captured by Pt atom with formed Pt-O bond of 2.256 Å

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Summary

INTRODUCTION

In a long-running SF6 insulating devices, inevitable defects would cause the decomposition of SF6; and subsequently,[1] the by-products of SF6 would react in the presence of oxygen and trace water, forming several species including SO2F2, SO2 and H2S.2–5 It has been proved that the existence of such impurities would deteriorate the insulation performances of SF6 and lead to the possible paralysis of the power system.[6]. It has been proved that the existence of such impurities would deteriorate the insulation performances of SF6 and lead to the possible paralysis of the power system.[6] online-detection of SF6 decomposed products has been a research hotspot in the field of electrical engineering, for estimating the operation state of insulation system and preventing related insulation defects in the high-voltage system.[7]. Carbon nanotubes (CNTs) based gas sensors, in recent years, have received considerable attention due to their fast response and high sensitivity towards target molecules.[8,9] The sensing mechanism of resistivity-type sensors are dependent on the charge transfer between the adsorbent surface and the gas molecule that leads to conductivity change to be detected.[10] In this regard, the transition metal doped CNTs has been proposed to create adsorption sites around the dopant atom where electron distribution localization occurs, for improvement the chemical activity and adsorption performance towards gas molecules.[11,12]. The results suggested that the Pt-CNT surface possesses pretty good performances to H2S and SO2, indicating its strong potential being prepared as a practical sensor in the field of electrical engineering

CALCULATION DETAILS
Optimized structures of Pt-CNT and gas molecule models
Density of state analysis
Analysis of frontier molecule orbital theory
CONCLUSIONS

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