Abstract
In this study, ZnO-g-C3N4 monolayer was selected as a gas-sensing material for detecting three characteristic SF6 decomposition products (SO2, SOF2 and SO2F2), based on first-principles theory. The result shows that the electrical conductivity of g-C3N4 system has been remarkably improved after ZnO doping with bind energy of −3.54 eV and Qt of 0.205 e. Each gas molecule can be stably captured on the ZnO-g-C3N4 monolayer by chemisorption, and the electrons are enormously redistributed during the process. The adsorption energy of SO2, SOF2 and SO2F2 after doping are −1.14 eV, −1.61 eV and −1.95 eV, respectively. And compared with the original system, the band gap is reduced by 18.7 %, 89.8 % and 71.9 %, respectively. The recovery time at different temperatures shows that a rapid desorption for SO2 can be achieved by increasing the temperature appropriately, while it is hard to desorb for SOF2 and SO2F2. In conclusion, this study provides a reliable theoretical basis for ZnO-g-C3N4 monolayer as gas sensing material for the detection of SF6 characteristic decomposition products.
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 callMore From: Physica E: Low-dimensional Systems and Nanostructures
Disclaimer: 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.
