Affiliation:
1. School of Science, Xi’an University of Technology, Xi’an 710054, China
2. School of Automation and Information Engineering, Xi’an University of Technology, Xi’an 710048, China
Abstract
The gas sensitivity of the W defect in WS2 (VW/WS2) to five toxic gases—HCHO, CH4, CH3HO, CH3OH, and CH3CH3—has been examined in this article. These five gases were adsorbed on the VW/WS2 surface, and the band, density of state (DOS), charge density difference (CDD), work function (W), current–voltage (I–V) characteristic, and sensitivity of adsorption systems were determined. Interestingly, for HCHO-VW/WS2, the energy level contribution of HCHO is closer to the Fermi level, the charge transfer (B) is the largest (0.104 e), the increase in W is more obvious than other adsorption systems, the slope of the I–V characteristic changes more obviously, and the calculated sensitivity is the highest. To sum up, VW/WS2 is more sensitive to HCHO. In conclusion, VW/WS2 has a great deal of promise for producing HCHO chemical sensors due to its high sensitivity and selectivity for HCHO, which can aid in the precise and efficient detection of toxic gases.
Funder
National Natural Science Foundation of China
Natural Science Basic Research Plan in Shaanxi Province of China
China Postdoctoral Science Foundation
Shaanxi Province Innovative Talents Promotion Plan-Young Science and Technology Star Project
Subject
Electrical and Electronic Engineering,Biochemistry,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry