Metal-Decorated InN Monolayer Senses N2 against CO2

L Tao, D Dastan, W Wang, P Poldorn… - … applied materials & …, 2023 - ACS Publications
Poor selectivity is a common problem faced by gas sensors. In particular, the contribution of
each gas cannot be reasonably distributed when a binary mixture gas is co-adsorbed. In this …

Pt-Doped HfS2 Monolayer as a Novel Sensor and Scavenger for Dissolved Gases (H2, CO2, CH4, and C2H2) in Transformer Oil: A Density Functional Theory …

L Huang, D Lu, W Zeng, Q Zhou - Langmuir, 2023 - ACS Publications
Detecting the types and concentrations of dissolved gases in insulating oil by resistivity-type
sensors is an extremely effective means for diagnosing faults in an oil-immersed …

Pristine and metal decorated biphenylene monolayer for enhanced adsorption of nitrobenzene: A DFT approach

S Lakshmy, G Sanyal, N Kalarikkal… - Applied Surface Science, 2023 - Elsevier
This work reports a first-principles density functional theory (DFT) investigation of
nitrobenzene (NB) sensing in pristine and metal-decorated biphenylene (p-BP and m-BP …

A DFT study of superior adsorbate–surface bonding at Pt-WSe2 vertically aligned heterostructures upon NO2, SO2, CO2, and H2 interactions

A Kushwaha, N Goel - Scientific Reports, 2024 - nature.com
This study investigates the potential of platinum (Pt) decorated single-layer WSe2 (Pt-WSe2)
monolayers as high-performance gas sensors for NO2, CO2, SO2, and H2 using first …

Gas sensitive analysis of composite MoS2(001) surface to air discharge products: A DFT study

M Wang, D Chen, P Jia - IEEE Sensors Journal, 2023 - ieeexplore.ieee.org
Air discharge characteristic gas detection is considered as one of the most reliable methods
in fault diagnosis of air switchgear. Based on the first-principles of density functional theory …

Adsorption of NO2, SO2, H2S, and NH3 on Os-Doped WSe2 Monolayers: A First-Principles Study

L Lin, X Li, C Xue, X Cai, H Tao, Z Zhang - Langmuir, 2023 - ACS Publications
In this study, DFT calculations are used to analyze the adsorption of industrial waste gases
(NO2, SO2, H2S, and NH3) on WSe2 monolayers. The adsorption energy, energy band …

Mg12O12 and Be12O12 Nanocages as Sorbents and Sensors for H2S and SO2 Gases: A Theoretical Approach

HM Badran, KM Eid, S Baskoutas, HY Ammar - Nanomaterials, 2022 - mdpi.com
Theoretical calculations based on the Density Functional Theory (DFT) have been
performed to investigate the interaction of H2S as well SO2 gaseous molecules at the …

Adsorption of CO and SO2 on SnS monolayer doped with transition metal oxides (TiO2, CuO, and NiO): A DFT study

L Liu, Y Li, X Jiang, Z Zhang, L Ma, T Li… - Materials Science in …, 2024 - Elsevier
Industrial emissions, particularly CO and SO 2, pose significant threats to both the ecological
environment and human health, highlighting the critical need for online monitoring and the …

Transition metal disulfide (MoTe2, MoSe2 and MoS2) were modified to improve NO2 gas sensitivity sensing

L Lin, Z Feng, Z Dong, H Tao, C Hu - Journal of Industrial and Engineering …, 2023 - Elsevier
For the detection of the more hazardous nitrogen oxides (NO 2), there is a need to find a
readily fabricated, low-cost, high-performance two-dimensional material. This paper …

Adsorption of SF6 decomposition gases on Ag2O (1, 2)-WSe2 monolayers: A DFT study

K Li, T Jiang, H Tian, H Yuan, M Bi, Q Liu - Physica E: Low-dimensional …, 2023 - Elsevier
The internal faults of gas-insulated switchgear (GIS) will be detected through analyzing the
decomposition products of its insulating gas. We present a new gas sensing material based …