Evaluating ammonia sensors based on two-dimensional pure and silicon-decorated biphenylene using DFT calculations DOI
Mohamed J. Saadh, Saade Abdalkareem Jasim, Marlene Jacqueline García Veloz

et al.

Inorganic Chemistry Communications, Journal Year: 2023, Volume and Issue: 160, P. 111918 - 111918

Published: Dec. 14, 2023

Language: Английский

Noble metal (Pd, Pt)-functionalized WSe2 monolayer for adsorbing and sensing thermal runaway gases in LIBs: a first-principles investigation DOI
Hao Cui, Hailong Wu, Dan He

et al.

Environmental Research, Journal Year: 2025, Volume and Issue: unknown, P. 120847 - 120847

Published: Jan. 1, 2025

Language: Английский

Citations

17
Construction of ultra-fast hydrogen sensor for dissolved gas detection in oil-immersed transformers based on titanium dioxide quantum dots modified tin dioxide nanosheets DOI
Zijian Wang, Dongzhi Zhang, Mingcong Tang

et al.

Sensors and Actuators B Chemical, Journal Year: 2023, Volume and Issue: 393, P. 134141 - 134141

Published: June 12, 2023

Language: Английский

Citations

32
CVD-fabricated Co3O4-Co3S4 heterojunction for ultra-sensitive detection of CO in SF6 discharge decomposition products DOI
Mingcong Tang, Dongzhi Zhang,

Yuehang Sun

et al.

Sensors and Actuators B Chemical, Journal Year: 2023, Volume and Issue: 401, P. 134968 - 134968

Published: Nov. 15, 2023

Language: Английский

Citations

27
Pd-Adsorbed SiN3 Monolayer as a Promising Gas Scavenger for SF6 Partial Discharge Decomposition Components: Insights from the First-Principles Study DOI
Gang Guo,

Lingyun Mao,

Kang Liu

et al.

Langmuir, Journal Year: 2024, Volume and Issue: 40(14), P. 7669 - 7679

Published: March 28, 2024

Gas-insulated switchgear (GIS) equipment must be protected by detecting and eliminating the toxic SF6 partial discharge decomposition components. This study employs first-principles calculations to thoroughly investigate interaction between a Pd-adsorbed SiN3 monolayer (Pd-SiN3) four typical gases (H2S, SO2, SOF2, SO2F2). The also investigates associated geometric, electrical, optical characteristics along with sensing sensitivity desorption efficiency. ab initio molecular dynamics (AIMD) simulations demonstrated favorable stability of Pd-SiN3 monolayer. Furthermore, exhibited strong chemisorption behavior toward H2S, SO2F2 because higher adsorption energies −2.717, −2.917, −2.457, −2.025 eV, respectively. significant changes occur in electronic following these gases, resulting remarkable relation electrical conductivity absorption. Meanwhile, all gas systems extremely long recovery times. aforementioned theoretical findings suggest that has potential an effective scavenger for storage or removal Additionally, it might function as reliable one-time sensor gases. results potentially provide valuable guidance maintaining normal operation insulation devices.

Language: Английский

Citations

15
Metal (Ni, Pd, and Pt)-Doped BS Monolayers as a Gas Sensor upon Vented Gases in Lithium-Ion Batteries: A First-Principles Study DOI
Ming Li, Xue‐Feng Wang

Langmuir, Journal Year: 2024, Volume and Issue: 40(6), P. 2969 - 2978

Published: Feb. 2, 2024

Real-time monitoring of the vented gases emitted by thermal runaway lithium-ion batteries (LIBs) is great significance to normal use LIBs. We study systematically adsorption and sensing performances pristine metal-doped BS monolayers five typical (CO, CO2, CH4, C2H2, C2H4) from LIBs employing first-principles method. The structure energetics, charge transfer, band structure, density states, sensitivity, recovery time are simulated analyzed. Outstanding properties predicted for Ni-, Pd-, Pt-doped monolayers, although their recently synthesized counterpart shows little potential those gases. magnitude energy increases 0.249 eV 2.32 (Ni-BS), 1.954 eV(Pd-BS), 2.994 (Pt-BS) CO gas after doping. Besides, significant variation gap observed in doped nanosheets, which leads huge theoretical values sensitivity. sensitivity CO, C2H4 on Pt-BS may reach up 5.87 × 105, 1.57 106, 1.81 8.33 104, 8.18 103, respectively. In addition, calculated times indicate that have strong selectivity detection these three should application sensors

Language: Английский

Citations

10
Chemiresistive detection of SO2 in SF6 decomposition products based on ZnO nanorod/MoS2 nanoflower heterojunctions: experimental and first-principles investigations DOI
Mingcong Tang, Dongzhi Zhang,

Yuehang Sun

et al.

Sensors and Actuators B Chemical, Journal Year: 2023, Volume and Issue: 403, P. 135170 - 135170

Published: Dec. 19, 2023

Language: Английский

Citations

20
Comparison of the gas sensing performance of two-dimensional materials doped with metal oxides (MoTe2, WTe2) for converter transformer discharge fault gases: A DFT study DOI
Haonan Xie, Ming‐Han Li, Hao Wu

et al.

Sensors and Actuators A Physical, Journal Year: 2024, Volume and Issue: unknown, P. 115926 - 115926

Published: Sept. 1, 2024

Language: Английский

Citations

7
Metal (Au, Ag, Pt) Doping Effects on the Gas-Sensing Mechanism and Characteristics of Two-Dimensional WS2: A First-Principle DOI
Detong Kong, Beibei Ma, Ling Zhang

et al.

ACS Applied Electronic Materials, Journal Year: 2024, Volume and Issue: 6(2), P. 958 - 968

Published: Feb. 16, 2024

Highly sensitive gas sensors play a crucial role in monitoring the concentration of harmful gases within automobile interiors, ensuring well-being occupants. In this study, computational approach employing density-functional theory was utilized to investigate gas-sensing performance two-dimensional WS2 nanomaterials doped with precious metals (Au, Ag, and Pt), particularly detection hazardous such as formaldehyde (HCHO) hydrogen sulfide (H2S). The research findings indicate that introduction metal dopants significantly enhances sensitivity both H2S HCHO gases, concurrently improving material's electronic properties stability. Furthermore, doping into system induces more pronounced electron transfer during adsorption process target thereby further augmenting intrinsic gases. Considering desorption Ag–WS2 emerges promising candidate for detecting at room temperature. Au–WS2, which is stable adsorbing temperature rapidly desorbing elevated temperatures, presents itself potential material efficient reusable sensing high temperatures. These provide unique insights directions development sensors, offering robust support addressing issues related environmental monitoring. By delving under different dopings, study contributes valuable references design innovative sensor materials technologies.

Language: Английский

Citations

6
Theoretical investigation of Ag and Au modified CSiN monolayer as a potential gas sensor for air decomposition components detection DOI
Minjia Yang, Huihui Xiong, Yingying Ma

et al.

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 410, P. 125648 - 125648

Published: July 28, 2024

Language: Английский

Citations

6
First-principles design of PtPd bimetal dispersed WTe2 monolayer for sensing thermal runaway gases: enhanced performance against single Pt or Pd dispersion DOI
Gaohui He, Qiang Xiao,

Dexin Xie

et al.

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 52, P. 104978 - 104978

Published: Aug. 18, 2024

Language: Английский

Citations

6