MoTe₂/InN van der Waals heterostructures for gas sensors: a DFT study

Abstract

MoTe2/InN vdW heterostructure in AA stacking has a type-II band alignment and is proven to be ideal for NO2 detection via resistive and optical gas sensors.

Atomic insights into the interaction of N2, CO2, NH3, NO, and NO2 gas molecules with Zn2(V, Nb, Ta)N3 ternary nitride monolayers

“…NH 3 is a donor to the Zn 2 TaN 3 monolayer, as for most of 2D materials, but it is hardly removable ( t = 1.56 × 10 7 s) from its surface, which is different from most of 2D materials, where NH 3 possesses a weak van der Waals interaction. 96–99 NO and NO 2 induce local dipoles of a different orientation on the Zn 2 TaN 3 monolayer surface, which can facilitate their detection. 100,101…”

Adsorption Properties of Dissolved Gas Molecules in Transformer Oil on the ReSe2 Monolayer: A DFT Study

“…The semiconductor gas sensor method, as compared with traditional gas detection methods such as gas chromatography, offers significant advantages including real-time monitoring, easy maintenance, portability, and low cost. Consequently, it has garnered extensive attention and application among researchers in recent years. − , For instance, sensors based on WS 2 nanosheets demonstrate good sensitivity and exceptional selectivity toward NH 3 at room temperature; gas sensors utilizing two-dimensional layered MoS 2 nanostructures exhibit high sensitivity and rapid response to 100 ppm of HCHO at 130 °C; gas sensors employing high-performance TiS 2 nanodiscs display remarkable selectivity and reversibility for CO 2 at room temperature; and ZnO nanorod-modified SnS 2 Debye nanowires exhibit remarkable gas sensing properties for ppb-level H 2 S in an SF 6 background . Additionally, the H 2 S sensor prepared with LaF 3 QD-modified SnS 2 nanorods exhibits excellent stability, moisture resistance, selectivity, and long-term stability …”