Theoretical and experimental study on competitive adsorption of SF 6 decomposed components on Au-modified anatase (101) surface

Abstract Partial discharge inside gas insulated switchgear in electric systems will lead to the decomposition of SF 6 gas, the insulating medium, producing several kinds of characteristic components. Detecting the species and concentrations of decomposed components of SF 6 is considered a feasible way of early-warning to avoid occurrence of sudden fault. As a research hotspot in gas-sensing field, TiO 2 nanotubes possess wide application prospect in online monitoring of fault gases in gas insulated switchgear. In this paper, adsorption parameters of SO 2 , SOF 2 , and SO 2 F 2 , characteristic products of SF 6 decomposition, on Au-doped anatase TiO 2 (101) surface were calculated using software Materials Studio. The adsorption processes of gas molecules on Au-doped anatase TiO 2 (101) surface were theoretically analyzed, which can be used to explain the gas-sensing mechanism of TiO 2 nanotubes sensor. Besides, adsorption parameters of Au-doped anatase TiO 2 (101) surface were compared with those of intrinsic anatase TiO 2 (101) surface. As can be concluded, Au doping changes the sensitivity and selectivity of TiO 2 nanotubes to the above three kinds of gases. Furthermore, gas-sensing experiment of intrinsic and Au-doped TiO 2 nanotubes to SO 2 , SOF 2 , and SO 2 F 2 was carried out, of which the results were consistent with simulation analysis. Research of this paper illustrates sensitive and selective changes of TiO 2 nanotubes gas sensor after Au doping, which lays foundation for preparation of gas sensors applied for detection of partial discharge inside gas insulated switchgear.

[1]  Jianjun He,et al.  Decomposition characteristics of SF6 under thermal fault for temperatures below 400°C , 2014, IEEE Transactions on Dielectrics and Electrical Insulation.

[2]  Shanqing Zhang,et al.  Recent applications of TiO2 nanomaterials in chemical sensing in aqueous media , 2011 .

[3]  P. M. Perillo,et al.  The gas sensing properties at room temperature of TiO2 nanotubes by anodization , 2012 .

[4]  B. Delley From molecules to solids with the DMol3 approach , 2000 .

[5]  N. Iftimie,et al.  TiO2 thin films as sensing gas materials , 2008 .

[6]  Giuliano Martinelli,et al.  Sol-Gel Processed TiO2-Based Nano-Sized Powders for Use in Thick-Film Gas Sensors for Atmospheric Pollutant Monitoring , 2001 .

[7]  Ming Zhou,et al.  Pt-doped TiO2-based sensors for detecting SF6 decomposition components , 2015, IEEE Transactions on Dielectrics and Electrical Insulation.

[8]  Alessandro Martucci,et al.  Au Nanoparticles in Nanocrystalline TiO2−NiO Films for SPR-Based, Selective H2S Gas Sensing , 2010 .

[9]  R. Grob,et al.  Study of the decomposition of wet SF6, subjected to 50‐Hz ac corona discharges , 1989 .

[10]  Xiaoxing Zhang,et al.  A Pt-Doped TiO2 Nanotube Arrays Sensor for Detecting SF6 Decomposition Products , 2013, Sensors.

[11]  Wen Zeng,et al.  Selective Detection of Formaldehyde Gas Using a Cd-Doped TiO2-SnO2 Sensor , 2009, Sensors.

[12]  Xiaoxing Zhang,et al.  TiO2 Nanotube Array Sensor for Detecting the SF6 Decomposition Product SO2 , 2012, Sensors.

[13]  A. Maiti,et al.  Chemistry of NO2 on oxide surfaces: formation of NO3 on TiO2(110) and NO2<-->O vacancy interactions. , 2001, Journal of the American Chemical Society.

[14]  Jianjun He,et al.  Correlation analysis between formation process of SF6 decomposed components and partial discharge qualities , 2013, IEEE Transactions on Dielectrics and Electrical Insulation.

[15]  B. Delley An all‐electron numerical method for solving the local density functional for polyatomic molecules , 1990 .

[16]  Ho Won Jang,et al.  A near single crystalline TiO2 nanohelix array: enhanced gas sensing performance and its application as a monolithically integrated electronic nose. , 2013, The Analyst.

[17]  Wang,et al.  Accurate and simple analytic representation of the electron-gas correlation energy. , 1992, Physical review. B, Condensed matter.

[18]  A. Maiti,et al.  Interaction of sulfur with TiO2(1 1 0): photoemission and density-functional studies , 2001 .

[19]  Xinyu Xue,et al.  Fe2O3/TiO2 tube-like nanostructures: synthesis, structural transformation and the enhanced sensing properties. , 2012, ACS applied materials & interfaces.

[20]  A. Belarbi,et al.  Study of the decomposition of SF6 under dc negative polarity corona discharges (point‐to‐plane geometry): Influence of the metal constituting the plane electrode , 1992 .

[21]  Ho Won Jang,et al.  Embossed TiO2 Thin Films with Tailored Links between Hollow Hemispheres: Synthesis and Gas-Sensing Properties , 2011 .

[22]  Zhanhu Guo,et al.  Antibody nanosensors: a detailed review , 2014 .

[23]  D. Fray,et al.  Sensor performance of nanostructured TiO2 thin films derived from particulate sol–gel route and polymeric fugitive agents , 2007 .

[24]  Xiaojun Peng,et al.  Macro-/micro-environment-sensitive chemosensing and biological imaging. , 2014, Chemical Society reviews.

[25]  G. N. Chaudhari,et al.  Characterization of nanosized TiO2 based H2S gas sensor , 2006 .

[26]  Z. Wen,et al.  Hydrogen sensing characteristics and mechanism of nanosize TiO2 dope with metallic ions , 2010 .

[27]  Xiaoxing Zhang,et al.  A DFT study of SF6 decomposed gas adsorption on an anatase (1 0 1) surface , 2013 .

[28]  Seong-Hyeon Hong,et al.  A hydrogen gas sensor employing vertically aligned TiO2 nanotube arrays prepared by template-assisted method , 2011 .

[29]  Shu-wei Li,et al.  Impact of Nitrogen Doping on Electrical Conduction in Anatase TiO2 Thin Films , 2012 .

[30]  Xingchen Dong,et al.  Gas Sensitivity and Sensing Mechanism Studies on Au-Doped TiO2 Nanotube Arrays for Detecting SF6 Decomposed Components , 2014, Sensors.

[31]  J. Suehiro,et al.  Analysis of PD-generated SF/sub 6/ decomposition gases adsorbed on carbon nanotubes , 2006, IEEE Transactions on Dielectrics and Electrical Insulation.

[32]  I. Park,et al.  Multiplexed gas sensor based on heterogeneous metal oxide nanomaterial array enabled by localized liquid-phase reaction. , 2015, ACS applied materials & interfaces.

[33]  Sang Min Lee,et al.  Enhanced ethanol sensing properties of TiO2 nanotube sensors , 2012 .