DFT based study to sense harmful gases (NH3, AsH3, BF3, BCl3) using Scandium Nitride monolayer for sensing device applications DOI

P Gowtham,

Mandar Jatkar

Micro and Nanostructures, Journal Year: 2025, Volume and Issue: unknown, P. 208100 - 208100

Published: Feb. 1, 2025

Language: Английский

Highly Sensitive Gas Sensor for Detection of Air Decomposition Pollutant (CO, NOx): Popular Metal Oxide (ZnO, TiO2)-Doped MoS2 Surface DOI
Mingxiang Wang, Qingbin Zeng, Jianjun Cao

et al.

ACS Applied Materials & Interfaces, Journal Year: 2024, Volume and Issue: 16(3), P. 3674 - 3684

Published: Jan. 10, 2024

When partial discharges occur in air-insulated equipment, the air decomposes to produce a variety of contamination products, resulting reduction insulation performance insulated equipment. By monitoring concentration typical decomposition products (CO, NO, and NO2) within potential faults can be diagnosed. MoS2 has shown promising applications as gas-sensitive semiconductor material, doping metal oxides improve properties material. Therefore, this work, been doped using popular (ZnO, TiO2) day, its have analyzed compared density functional theory (DFT) calculations. The stability system was investigated molecular dynamics methods. related adsorption mechanism by configuration, energy band structure, states (DOS) analysis, total electron (TED) differential charge (DCD) analysis. Finally, practical application sensing is evaluated. results show that oxide nanoparticles greatly improves conductivity, gas sensitivity, selectivity monolayer products. response ZnO–MoS2 for CO at room temperature (25 °C) reaches 161.86 with good recovery time (0.046 s). TiO2–MoS2 NO2 3.5 × 106 25 °C (0.108 This study theoretically solves industrial challenge recycling materials provides theoretical value resistive chemical sensors

Language: Английский

Citations

31

CoO-SnSe monolayer: A high potential candidate for SF6 characteristic decomposition gas adsorption and detection DOI
Jianjun Cao, Mingxiang Wang, Yiyi Zhang

et al.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2024, Volume and Issue: 688, P. 133671 - 133671

Published: March 11, 2024

Language: Английский

Citations

20

Highly sensitive and selective gas sensors based on nanoporous CN monolayer for reusable detection of NO, H2S and NH3: A first-principles study DOI
Yongliang Yong, Wenjun Zhang, Qihua Hou

et al.

Applied Surface Science, Journal Year: 2022, Volume and Issue: 606, P. 154806 - 154806

Published: Sept. 7, 2022

Language: Английский

Citations

43

Advances in 2D Materials Based Gas Sensors for Industrial Machine Olfactory Applications DOI
Peng Wu, Yi Li, Aijun Yang

et al.

ACS Sensors, Journal Year: 2024, Volume and Issue: 9(6), P. 2728 - 2776

Published: June 3, 2024

The escalating development and improvement of gas sensing ability in industrial equipment, or "machine olfactory", propels the evolution sensors toward enhanced sensitivity, selectivity, stability, power efficiency, cost-effectiveness, longevity. Two-dimensional (2D) materials, distinguished by their atomic-thin profile, expansive specific surface area, remarkable mechanical strength, tunability, hold significant potential for addressing intricate challenges sensing. However, a comprehensive review 2D materials-based applications is absent. This delves into recent advances this field highlights machine olfaction. main content encompasses scenario characteristics, fundamental classification, enhancement methods, underlying mechanisms, diverse applications. Additionally, associated with transitioning material from laboratory to industrialization commercialization are addressed, future-looking viewpoints on next-generation intelligent sensory systems sector prospected.

Language: Английский

Citations

13

The design of CN/C3N2 heterostructures and the potential as gas sensor and scavenger for SF6 decomposed gases DOI
Xiaobo Yuan, Yongliang Yong, Qihua Hou

et al.

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 50, P. 104532 - 104532

Published: May 25, 2024

Language: Английский

Citations

11

First-principles study of highly sensitive and selective gas-sensing properties of the C3N2 monolayers towards SO2 gas DOI
Wenjun Zhang, Yongliang Yong,

Zezhao Li

et al.

Surfaces and Interfaces, Journal Year: 2022, Volume and Issue: 33, P. 102254 - 102254

Published: July 30, 2022

Language: Английский

Citations

34

Selective and sensitive toxic gas-sensing mechanism in a 2D Janus MoSSe monolayer DOI

Bindiya Babariya,

Dhara Raval, Sanjeev K. Gupta

et al.

Physical Chemistry Chemical Physics, Journal Year: 2022, Volume and Issue: 24(25), P. 15292 - 15304

Published: Jan. 1, 2022

With an inspiration of sensing toxic gases, this study is aimed at exploring the potential a Janus MoSSe monolayer as gas sensor. Here, we focused on adsorption mechanism after exposure to NH3, NO2, NO, HCN, CO2, CO, H2, H2S and SO2 both S Se sites MoSSe. We investigated structural geometries electronic, electron-transport properties before aforementioned gases by applying DFT calculations. The results revealed higher binding strength NO2/SO2 NO sites, respectively, among all adsorptions monolayer. Moreover, DOS strong orbital contributions EF, which confirmed n/p-type semiconducting character for NO/NO2 adsorbed Further, specific work function alteration indicated that could be candidate Φ-type sensor 300 K. Additionally, electron transmission prominent electrical response values 76.4/56 μA 82 suggested maximum sensitivity 98%/89% 93% particular voltage respectively. Thus, our promote surface selectivity, i.e. or site, better with recycling enable application detection.

Language: Английский

Citations

31

Adsorption of dissolved gas molecules in the transformer oil on metal (Ag, Rh, Sb)-doped PdSe2 momlayer: A first-principles study DOI
Peipei Zhao, Mingcong Tang, Dongzhi Zhang

et al.

Applied Surface Science, Journal Year: 2022, Volume and Issue: 600, P. 154054 - 154054

Published: June 25, 2022

Language: Английский

Citations

30

Adsorption and sensing mechanism of B-doped MoSi2N4 monolayer towards hazardous gases: A DFT investigation DOI

Jianhong Dong,

Rui Huang, Dejian Hou

et al.

Surfaces and Interfaces, Journal Year: 2023, Volume and Issue: 40, P. 103093 - 103093

Published: June 18, 2023

Language: Английский

Citations

23

Effect of biaxial strain and vacancy defects in 2D MoS2 monolayer for the sensing of nitrobenzene: A DFT investigation DOI
Seetha Lakshmy, Manikandan Kandasamy, Nandakumar Kalarikkal

et al.

Surfaces and Interfaces, Journal Year: 2023, Volume and Issue: 44, P. 103777 - 103777

Published: Dec. 16, 2023

Language: Английский

Citations

23