First-principles study on Pt-doped ZIF-8 for its potential application in gas sensing
The threat of organic ligand decomposition gas in SF6 circuit breakers was studied, and the microscopic mechanism of Pt-ZIF-8 adsorption of four carbon containing gases was investigated. Adsorption energy, charge transfer and density of states were used to study the adsorption performance and gas sensing mechanism of each adsorption system. The calculation results indicate that the adsorption capacity of Pt-ZIF-8 for gases is CO(-2.405eV)>CS2(-1.801eV)>CO2(-0.754eV)>CF4(-0.818eV). This proves the core role of bonding in competitive attraction and provides theoretical guidance for gas sensor design.
Authors
- Jie Cheng (ORCID: https://orcid.org/0000-0001-8415-4071)
- Yin Liao
- Zihao Wang (ORCID: https://orcid.org/0000-0001-6953-0470)
- Zhenjiang Li (ORCID: https://orcid.org/0000-0002-1100-7297)
- Song Li (ORCID: https://orcid.org/0000-0001-6017-123X)
- Liuyuan Ran (ORCID: https://orcid.org/0009-0006-7972-7836)
Institutions
- Chongqing University of Technology (CN)
Publication Details
- Published
- 2025-04-23
- DOI
- https://doi.org/10.58286/30972
- Primary Topic
- Gas Sensing Nanomaterials and Sensors
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Chongqing Science and Technology Commission
- Natural Science Foundation of Chongqing
- Centre Scientifique et Technique du Bâtiment