High Selectivity Gas Sensing and Charge Transfer ofSnSe 2
2019
SnSe2 is an anisotropic binary-layered material with
rich physics, which could see it used for a variety of potential applications.
Here, we investigate the gas-sensing properties of SnSe2 using first-principles calculations and verify predictions using
a gas sensor made of few-layer SnSe2 grown by chemical
vapor deposition. Theoretical simulations indicate that electrons
transfer from SnSe2 to NO2, whereas the direction
of charge transfer is the opposite for NH3. Notably, a
flat molecular band appears around the Fermi energy after NO2 adsorption and the induced molecular band is close to the conduction
band minimum. Moreover, compared with NH3, NO2 molecules adsorbed on SnSe2 have a lower adsorption energy
and a higher charge transfer value. The dynamic-sensing responses
of SnSe2 sensors confirm the theoretical predictions. The
good match between the theoretical prediction and experimental demonstration
suggests that the underlying sensing mechanism is related to the charge
transfer and induced flat band. Our results provide a guideline for
designing high-performance gas sensors based on SnSe2.
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