Transition metal sulfide WS2 was synthesized by roasting and decomposition method.Its morphology,structure and composition were characterized.A WS2 gas sensor was prepared and its gas sensitivity to NO2 and other interference gases was studied.The experimental results showed that the WS2 gas sensor had the highest response sensitivity to NO2 with good long-term stability and gas selectivity compared to other interfering gases.The microelectronic properties of WS2 molecules to NO2 and other interfering gases were calculated based on the density functional theory,such as the microelectronic properties,the adsorption energy charge difference and den-sity of states.The adsorption mechanism of WS2 to NO2 was analyzed.The mechanistic analysis based on density functional theory was consistent with the experimental results.
关键词
过渡金属硫化物/气敏性能/密度泛函理论/敏感机理
Key words
transition metal disulfide/gas sensitive property/density functional theory/sensi-tive mechanism
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