Abstract
In order to detect the decomposition gas of organic insulator in gas insulated switchgear, Cu doped ZIF-67 material was proposed. In this paper, the gas adsorption process was analyzed by the first principle. The calculation indexes include density of States (DOS), adsorption energy (Eads ), charge transfer quantity (Qt ), Charge density difference (CDD), electron localization function (ELF), the highest occupied molecular orbitals (HOMO) and the lowest unoccupied molecular orbital (LUMO). The results show that the adsorption capacity of Cu-ZIF-67 for CO and CO2 is better than that of CF4 in the single gas adsorption calculation. The adsorption energies of three single gases are -1.306eV, -1.597eV and -0.991eV, respectively. Therefore, this study provides excellent gas sensing materials and scientific theoretical calculation for selective detection and gas adsorption of decomposition gas.
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.
