Ni-Dispersed PdS₂ Monolayer as a Potential Sensing Material for Dissolved Gas Analysis in Electrical Transformers: A First-Principles Study.

ABSTRACT: To perform the dissolved gas analysis in transformer oil, in this work, we propose the Ni-dispersed PdS₂ (Ni-PdS₂) monolayer as a promising sensing material for three typical dissolved gases H₂, CO, and C₂H₂. For the Ni-dispersing process, we find that Ni atoms can be chemically stably adsorbed on the PdS₂ surface with a binding energy of -4.11 eV. For gas adsorption systems, it is found that the Ni-PdS₂ monolayer allows the physisorption of H₂ molecules and the chemisorption of CO and C₂H₂ molecules. Besides, the analysis of electronic properties of the Ni-PdS₂/gas system reveals its potential as a resistance-type H₂ or C₂H₂ sensor with sensing responses of -40.9 and 261.5%, separately, and the WF analysis indicates its low potential as a WF-based gas sensor for the three gases. These findings indicate the Ni-dispersed behavior on the PdS₂ surface and the gas-sensing potential of the Ni-PdS₂ monolayer, which we expect can facilitate more investigations about PdS₂-based materials for applications in gas adsorptions and sensing in some other fields.

SUBMITTER: Yu J 

PROVIDER: S-EPMC10851375 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature