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- W3127974505 abstract "First-principles calculations and non-equilibrium Green’s function calculations have been carried out to investigate the adsorption behaviors of various toxic gas molecules including CO, H2S, NO2, SO2 and NO on the Tetra-MoN2 monolayer in this work. The obtained results manifest that the Tetra-MoN2 monolayer is highly preferable for NO molecules, displaying adequate adsorption energy, distinct charge transfer, which can be attributed to its noticeable atom orbital hybridization. Furthermore, the NO/Tetra-MoN2 system exhibits unique transmission properties and significant work function variation. Such high sensitivity and selectivity of the Tetra-MoN2 monolayer to NO adsorption is conductive to its practical application of gas sensor about NO detection." @default.
- W3127974505 created "2021-02-15" @default.
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- W3127974505 date "2021-04-01" @default.
- W3127974505 modified "2023-09-23" @default.
- W3127974505 title "High sensitive and selective toxic gas sensor based on monolayer Tetra-MoN2 for sensing NO: A first-principles study" @default.
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- W3127974505 doi "https://doi.org/10.1016/j.cplett.2021.138359" @default.
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