Related papers: NH3 gas sensing over 2D Phosphorene sheet: A First…
Ammonia is a harmful chemical hazard known for its widespread industrial use. Exposure to ammonia can cause environmental damage, human health hazards, and huge economic losses. Therefore, ammonia gas sensors are essential for detecting…
Recently, modulation of the energy bandgap of graphene when gas molecules are adsorbed to its surface has been proved to be possible. Motivated by this, based on numerical calculations, we investigate the effect of the associated bandgap…
Borophene (two-dimensional boron sheet) is a new type of two-dimensional material, which was recently grown successfully on single crystal Ag substrates. In this paper, we investigate the electronic structure and bonding characteristics of…
Phosphorene, a single atomic layer of black phosphorus, has recently emerged as a new twodimensional (2D) material that holds promise for electronic and photonic technology. Here we experimentally demonstrate that the electronic structure…
We have explored the possibility of using low dimensional phosphorene based nanoscale device for the detection of nitroaromatic based explosives. In this work, we have investigated the structural, electronic, adsorption, and quantum…
In this work we use first principles density-functional theory and Bethe-Salpeter equation together with tight-binding based maximally localized wannier functions (MLWF-TB) to investigate the electronic, optical and topological properties…
In this work, we demonstrate a new system for the examination of gas interactions with surfaces via Atom Probe Tomography. This system provides the capability to examine the surface and subsurface interactions of gases with a wide range of…
The use of graphene in surface plasmon resonance sensors, covering a metallic (plasmonic) film, has a number of demonstrated advantages, such protecting the film against corrosion/oxidation and facilitating the introduction of functional…
We present a model of a novel measurement scheme to detect small amounts of a gas species via the ground-state fluctuations of the electromagnetic field (dispersion forces) depending on the entire spectral properties of all objects. Here,…
Transition metal dichalcogenides (TMDCs) have recently shown much promise as thin layer semiconductors in application to transistor technology. TMDCs provide a unique vantage point for studying the properties of phosphorene, a highly…
Black phosphorus and its single-layer constituent, phosphorene, have emerged as promising two-dimensional materials with remarkable tribological properties. However, recent experimental investigations revealed that the their lubricating…
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…
Fundamental insight into lattice dynamics and phonon transport is critical to the efficient manipulation of heat flow, which is one of the appealing thermophysical problems with enormous practical implications. Phosphorene, a novel…
Graphene is a true two dimensional material with exceptional electronic properties and enormous potential for practical applications. Graphene's promise as a chemical sensor material has been noted but there has been relatively little work…
Using periodic DFT, we examined the adsorption of NO2, NH3, and O3 on the h-BN side of a graphene/h-BN heterostructure designed as a model gas sensor material. The h-BN overlayer serves both as an active adsorption surface and as protection…
Layered and two-dimensional (2D) materials such as graphene, boron nitride, transition metal dichalcogenides(TMDCs), and black phosphorus (BP) have intriguing fundamental physical properties and bear promise of numerous important…
Phosphorene, a monolayer of black phosphorus (BP), is an elemental two-dimensional material with interesting physical properties, such as high charge carrier mobility and exotic anisotropic in-plane properties. To fundamentally understand…
Graphene is a single layer of carbon atoms arranged in a honeycomb lattice with remarkable mechanical, electrical and optical properties. For the first time graphene layers suspended on copper meshes were installed into a gas detector…
Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption…
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…