Abstract
To perform the dissolved gas analysis in transformer oil, in this work, we propose the Ni-dispersed PdS(2) (Ni-PdS(2)) monolayer as a promising sensing material for three typical dissolved gases H(2), CO, and C(2)H(2). For the Ni-dispersing process, we find that Ni atoms can be chemically stably adsorbed on the PdS(2) surface with a binding energy of -4.11 eV. For gas adsorption systems, it is found that the Ni-PdS(2) monolayer allows the physisorption of H(2) molecules and the chemisorption of CO and C(2)H(2) molecules. Besides, the analysis of electronic properties of the Ni-PdS(2)/gas system reveals its potential as a resistance-type H(2) or C(2)H(2) 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 PdS(2) surface and the gas-sensing potential of the Ni-PdS(2) monolayer, which we expect can facilitate more investigations about PdS(2)-based materials for applications in gas adsorptions and sensing in some other fields.