Work

First-principles study on Pt-doped ZIF-8 for its potential application in gas sensing

Year: 2025

Type: conference-paper

Abstract: 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.

DOI: 10.58286/30972

Authors: ZiJie Li, Song Li, Lishuo Ran, Yin Liao, Jie Cheng, Zihao Wang

Institution: Chongqing University of Technology

Language: English

Topic: Gas Sensing Nanomaterials and Sensors

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: gold

Funders: Chongqing Science and Technology Commission, Natural Science Foundation of Chongqing, Centre Scientifique et Technique du Bâtiment

Awards: G3778378641, G4427435602

OpenAlex ID: W4409730757