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The sensing behaviors of arsenic phosphorus (AsP) for nitric oxide (NO) and hydrogen sulfide (H2S) are investigated by means of the density functional theory and the nonequilibrium Green’s function method. The calculated adsorption energy and charge transfer of H2S molecule on silicon-doped AsP (Si-AsP) are 0.352 eV and 0.106 ${e}$ , respectively, indicating the presence of physisorption process...
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