Strain-engineered S-HfSe₂ monolayer as a promising gas sensor for detecting NH₃: A first-principles study

The development of high-performance gas sensing materials is one of the development trends of new gas sensor technology. In this work, in order to predict the gas-sensitive characteristics of HfSe₂ and its potential as a gas-sensitive material, the interactions of nonmetallic element (O, S, Te) doped HfSe₂ monolayer and...

A theoretical study of atmospheric pollutant NO₂ on as-doped monolayer WS₂ based on DFT method

For the relevant properties of pristine and doped (Si, P, Se, Te, As) monolayer WS₂ before and after the adsorption of CO, CO₂, N₂, NO, NO₂ and O₂, density functional theory (DFT) calculations are made. Calculation results reveal that the monolayer WS₂ doped with P and As atoms...

Room temperature ppt-level NO₂ gas sensor based on SnO _x/SnS nanostructures with rich oxygen vacancies

In this paper, tin oxidation (SnO x )/tin-sulfide (SnS) heterostructures are synthesized by the post-oxidation of liquid-phase exfoliated SnS nanosheets in air. We comparatively analyzed the NO2 gas response of samples with different oxidation levels to study the gas sensing mechanisms. The results show that the samples oxidized at 325 °C are...

Germanene on single-layer ZnSe substrate: Novel electronic and optical properties

In this work, the structural, electronic and optical properties of germanene and ZnSe substrate nanocomposites have been investigated using first-principles calculations. We found that the large direct-gap ZnSe semiconductors and zero-gap germanene form a typical orbital hybridization heterostructure with a strong binding energy, which shows...