相关论文: Exploring the Interaction of BeS Monolayer and Lun…

A silicon microring resonator with an anisotropic beryllium sulfide (BeS) cladding is proposed for polarization-selective detection of exhaled-breath volatile organic compound biomarkers. The anisotropic dielectric response of BeS enables…

Volatile organic compounds (VOCs) are valuable health indicators, with synthetic breath biomarkers offering rapid and disease specific diagnostics. However, their <100 ppb level exhalation requires mass spectrometry, limiting clinical…

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…

Volatile organic compounds (VOCs) in human breath can reveal a large spectrum of health conditions and can be used for fast, accurate and non-invasive diagnostics. Gas chromatography-mass spectrometry (GC-MS) is used to measure VOCs, but…

Biomarker detection is the key to identifying health risks. However, designing sensitive biosensors in a single-use mode for disease diagnosis remains a major challenge. Here, we report sub-monolayer biolasers with remarkable repeatability…

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…

Due to high surface to volume ratio and tunable band gap, 2 Dimensional (2D) layered materials such as MoS2, is good candidate for gas sensing applications. This research mainly focuses on variation of Density of States (DOS) of MoS2…

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…

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…

Breath analysis has emerged as a critical tool in health monitoring, offering insights into respiratory function, disease detection, and continuous health assessment. While traditional contact-based methods are reliable, they often pose…

Applications like high density information storage, neuromorphic computing, nanophotonics, etc. require ultra-thin electronic devices which can be controlled with applied electric field. Of late, atomically thin two-dimensional (2D)…

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…

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…

A gas cell for in-situ measurements of Volatile Organic Compounds (VOCs) and their adsorption behavior on different surfaces by means of X-Ray Fluorescence (XRF) and X-ray Absorption Fine-Structure (XAFS) spectroscopy has been developed.…

Two-dimensional molybdenum disulfide (MoS$_2$) featuring atomically thin thickness and unique electronic structure with favorable bandgap has been widely recognized as an attractive new material for the development of the next generation of…

The electronic, thermal and optical properties of a monolayer BeO with Boron (B) and Nitrogen (N) co-dopant atoms are studied by means of a density functional theory computation. Our calculations reveal that BeO with BN-codopant atoms can…

Predicting accurate band gaps and optical properties of lower-dimensional materials, including two-dimensional van der Waals (vdW) materials and their heterostructures, remains a challenge within density functional theory (DFT) due to their…

We explore the combined impact of sulfur vacancies and electronic interactions on the optical properties of monolayer MoS$_2$. First, we present a generalized Anderson-Hubbard Hamiltonian that accounts for both randomly distributed sulfur…

Structural defects in 2D-transition metal dichalcogenides are critical in modulating their optical and electrical behavior. Nevertheless, precise defect control within the monolayer regime poses a significant challenge. Herein, a…

Molybdenum disulfide, MoS2, has recently gained considerable attention as a layered material where neighboring layers are only weakly interacting and can easily slide against each other. Therefore, mechanical exfoliation allows the…