This work using the density functional theory simulates
the strong
potential of the CuO-decorated PtSe2 (CuO–PtSe2) monolayer as a recycle use C2H2 and
C2H4 sensor in order to realize the arc discharge
monitoring based on the nano-sensing method. Results indicate that
CuO decoration causes strong n-type doping for the PtSe2 monolayer with a binding force (E
b)
of −2.49 eV, and the CuO–PtSe2 monolayer
exhibits strong chemisorption and electron-accepting properties in
the two gas systems, with the adsorption energy (E
ad) and charge transfer (Q
T) obtained as −1.19 eV and 0.040 e for the
C2H2 system and as −1.24 eV and 0.011 e for the C2H4 system, respectively.
The density of states reveals the deformed electronic property of
the CuO–PtSe2 monolayer in gas adsorptions, and
its sensing mechanism based on the change of electrical conductivity
and the work function are uncovered. This work sheds light on the
metal-oxide-decorated transition-metal dichalcogenides for gas sensor
applications and would provide the guidance to explore novel sensing
materials in many other fields as well.
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