相关论文: Gas Sensing Properties of Novel Indium Oxide Monol…

We have investigated the impact of toxic N2O gas upon structural and electronic properties of 2D MoSe2 monolayer using DFT approach. In this work, as a result of N2O gas absorption, charge transfer, band gap and density of states (DOS) are…

First-principles calculations within density functional theory (DFT) have been carried out to investigate the adsorption of various gas molecules including CO, CO2, NH3, NO and NO2 on MoS2 monolayer in order to fully exploit the gas sensing…

Transition metal dichalcogenides have shown great promise in the field of gas sensing due to their high catalytic activity and unique electronic properties. They can effectively interact with various gas molecules, making them suitable…

Two-dimensional transition metal dichalcogenides (TMDs) are highly appealing for gas sensors, lab-on-a-chip devices and bio-sensing applications because of their strong light-matter interaction and high surface-to-volume ratio. The ability…

Air pollution and greenhouse emissions are a significant problem across various sectors, urging the need for advanced technologies to detect and capture harmful gases. In recent years, two-dimensional (2D) materials have attracted an…

The adsorption behavior of toxic gas molecules (NO, CO, NO2, and NH3) on graphene-like BC3 are investigated using first-principle density functional theory (DFT). The most stable adsorption configurations, adsorption energies,binding…

Two-dimensional (2D) boron-based materials have gained increasing interest due to their exceptional physicochemical properties and potential technological applications. In this way, borospherenes, a 2D Boron-based fullerene-like lattice…

Gas sensing mechanism of H2S, NH3, NO2 and NO toxic gases on transition metal dichalcogenides based Janus MoSSe monolayers are investigated using the density functional theory. The pristine and defect included MoSSe layers are considered as…

The process of environmental oxidation is pivotal in determining the physical and chemical properties of two-dimensional (2D) materials. Its impact holds great significance for the practical application of these materials in nanoscale…

The field of 2D materials has gained a lot of attention for vast range of applications. Amongst others, the sensing ability towards harmful gases is the application, which we explored in the present work using quantum-mechanical simulations…

First-principles calculations are performed to investigate the effects of the adsorption of gas molecules (CO, NO, NO2, H2S, N2, H2O, O2, NH3 and H2) on the electronic properties of atomically thin indium selenium (InSe). Our study shows…

Composite oxides have been indeed proved to be valuable materials in optoelectronic applications. The combination of indium oxide and gallium oxide and other materials can lead to enhanced optical and electronic properties, making them…

We proposed an Indium Tin Oxide (ITO) sensor for detecting the NH4OH in seawater and carried out a series of experiments to investigate the feasibility of it as a hazardous and noxious substance (HNS) sensor. The ITO layer revealed a…

Functionalities in crystalline materials are determined by 3-dimensional collective interactions of atoms. The confinement of dimensionality in condensed matter provides an exotic research direction to understand the interaction of atoms,…

Nanosensors are critical in environmental monitoring, industrial safety, and public health by detecting specific hazardous gases like CO, NO, SO_2, and CH_4 at trace levels. This study uses density functional theory (DFT) calculations to…

Gas sensors built using two-dimensional (2D) MoS2 have conventionally relied on a change in field-effect-transistor (FET) channel resistance or a change in Schottky contact/pn homojunction barrier. This report demonstrates, for the first…

Methane (CH_4) gas sensing properties of novel vanadium dioxide (VO_2) nanostructured films is reported for the first time. The single phase nanostructures are synthesized by pulsed dc-magnetron sputtering of V target followed by oxidation…

First-principles based calculations were executed to investigate the sensing properties of ammonia gas molecules on two-dimensional pristine black phosphorene towards its application as a gas sensor and related applications. We discuss in…

Monolayer group-III monochalcogenides (MX, M = Ga, In; X = S, Se, Te), an emerging category of two-dimensional (2D) semiconductors, hold great promise for electronics, optoelectronics and catalysts. By first-principles calculations, we show…

Two-dimensional transition metal dichalcogenides (TMDCs) have been extensively investigated due to their tunable properties. In this work, density functional theory (DFT) is employed to investigate the adsorption behavior and sensing…