Theoretical Calculation of Dissolved Gas in Transformer Oil Using the Gas Sensitive Properties of Sc- and Ti-Modified ZrS<sub>2</sub>
To guarantee the secure functioning of the complete power system and minimize the risks associated with oil-filled transformers during their operation, it is greatly important to carry out gas sensing studies of dissolved gases in transformer research. Through the utilization of first-principles density functional theory calculations, the adsorption energy, electronic characteristics, and recuperation duration of ZrS<sub>2</sub> modified with Sc and Ti were examined. The results show that compared to those of the initial ZrS<sub>2</sub> material, the doping of TM atoms Sc and Ti significantly improved the adsorption properties of the material, and the adsorption of CO and C<sub>2</sub>H<sub>4</sub> showed chemisorption. The adsorption capacity for gases decrease in the following order: C<sub>2</sub>H<sub>4</sub> > CO > H<sub>2</sub>. The calculated recovery times indicate that Sc-ZrS<sub>2</sub> and Ti-ZrS<sub>2</sub> were ideal carbon monoxide sensing materials under the specific conditions. The results of this work can establish a fundamental rationale for the use of ZrS<sub>2</sub> in sensing the conditions of oil-immersed transformers.
Authors
- Long Lin (ORCID: https://orcid.org/0000-0003-2466-3784)
- Dongbin Wang (ORCID: https://orcid.org/0000-0002-8815-4295)
- Kun Xie (ORCID: https://orcid.org/0000-0002-1232-1843)
- Ye Shen
- Pei Shi
- Zhao Wang (ORCID: https://orcid.org/0009-0001-0181-3076)
Institutions
- Henan Polytechnic University (CN)
Publication Details
- Journal
- Langmuir
- Published
- 2024-11-05
- DOI
- https://doi.org/10.1021/acs.langmuir.4c03424
- Citations
- 13
- Primary Topic
- Gas Sensing Nanomaterials and Sensors
- Type
- article
- Field-Weighted Citation Impact
- 2.71
Funders
- National Natural Science Foundation of China
- Doctoral Start-up Foundation of Liaoning Province
- National Natural Science Foundation of China-Henan Joint Fund