Abstract
As the integration of renewable energy into the regional urban power grid, guaranteeing the safety of oil-immersed transformers emerges as a top priority. Dissolved gas analysis by nanomaterial-based gas sensor is a workable technique to evaluate the operation status of the oil-immersed transformers. This work purposes Nb-embedded PdSe2 (Nb-PdSe2) monolayer as a potential gas sensor upon C2H2 and C2H4, two typical dissolved gases, using the first-principles theory. One Se atom of the pristine PdSe2 monolayer is substituted by one Nb atom to establish the Nb-PdSe2 configuration, which is spontaneous at room temperature with binding energy of −1.81 eV. The adsorption characteristic of Nb-PdSe2 monolayer upon two gas species is analyzed and compared with other metal-doped TMDs. The analysis of electronic property reveals the favorable change in the bandgap of Nb-PdSe2 monolayer as well as the Nb-C bonding nature, leading to the strong sensing response of −99.99% and −99.87% in C2H2 and C2H4 systems using the frontier molecular orbital theory. These findings uncover the strong potential of Nb-PdSe2 monolayer as a resistive gas sensor upon two gases, which would be helpful to explore novel PdSe2-based gas sensor for application in some other fields.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
