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The gas-adsorption behaviors of the pristine antimonene are investigated by first principles calculations to exploit its potential for high-performance gas sensing. The results show that the atmospheric gas molecules (N2, CO2, O2, and H2O) presented ubiquitously in the sensing environments weakly bind to antimonene, while the polluted gas adsorbates (NH3, SO2, NO, and NO2) show stronger affinity toward...
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