相关论文: Gas Sensing Properties of single-material SnP3 log…
We present a comprehensive first-principles investigation into the gas sensing capabilities of a novel two-dimensional Indium Oxide (In2O3) monolayer, using density functional theory (DFT) calculations. Targeting both resistive-type and…
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…
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…
This paper reports the first gas sensor based on the plastic inorganic semiconductor GaPS4, pioneering the application of plastic inorganic semiconductors in the field of gas sensing. Unlike traditional rigid sensors, this device leverages…
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 adhesion of two-dimensional (2D) materials to other surfaces is so far believed to be a solid-solid mechanical contact. Here, we conduct both atomistic simulations and theoretical modeling to show that there exists a reversible…
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…
Graphene has been recognized as a promising gas sensing material. The response of graphene-based sensors can be radically improved by introducing defects in graphene using, e. g., metal or metal oxide nanoparticles. We have functionalised…
Presently a lot of efforts are devoted to the investigation of new two-dimensional magnetic materials, which are considered as promising for the realization of the future electronics and spintronics devices. However, the utilization of…
Penta-Graphene (PG) was theoretically proposed as a new carbon allotrope with a 2D structure. PG has revealed interesting gas sensing properties. Here, the structural and electronic properties of defective PG lattices interacting with an…
Recent experiments demonstrate the synthesis of 2D black arsenic exhibits excellent electronic and transport properties for nanoscale device applications. Herein, we study by first principle calculations density functional theory together…
We provide a bridge between generative modeling in the Machine Learning community and simulated physical processes in High Energy Particle Physics by applying a novel Generative Adversarial Network (GAN) architecture to the production of…
Recent reports on the fabrication of phosphorene, i.e., mono- or few-layer black phosphorus, have raised exciting prospects of an outstanding two-dimensional (2D) material that exhibits excellent properties for nanodevice applications. Here…
Boosting the sensitivity of solid-state gas sensors by incorporating nanostructured materials as the active sensing element can be complicated by interfacial effects. Interfaces at nanoparticles, grains, or contacts may result in non-linear…
The existence of two novel hybrid two-dimensional (2D) monolayers, 2D B3C2P3 and 2D B2C4P2, has been predicted based on the density functional theory calculations. It has been shown that these materials possess structural and thermodynamic…
Materials exhibiting negative differential resistance have important applications in technologies involving microwave generation, which range from motion sensing to radio astronomy. Despite their usefulness, there has been few physical…
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…
Using density functional theory and nonequilibrium Greens functions-based methods we investigated the electronic and transport properties of monolayer TiS3 pn-junction. We constructed a lateral pn-junction in monolayer TiS3 by using Li and…
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…
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…