Selectivity Tailoring of Polyaniline-based Gas Sensors towards Amine Homologs by Adsorption Regulation DOI
Qu Chen, Yifan Ren, Linlin Cao

et al.

Sensors and Actuators B Chemical, Journal Year: 2024, Volume and Issue: unknown, P. 137177 - 137177

Published: Dec. 1, 2024

Language: Английский

Noble Metal (Cu, Ag, Au) Modified PdPS Monolayers for Adsorption of SF6 Decomposition Gases (H2S, SO2, SOF2, and SO2F2): A Density Functional Theory Investigation DOI
Haoming Zhang, Jiaming Jiang,

Wen Zhou

et al.

ACS Applied Nano Materials, Journal Year: 2024, Volume and Issue: 7(22), P. 26017 - 26031

Published: Nov. 7, 2024

Sulfur hexafluoride (SF6) is extensively employed in gas-insulated switchgear (GIS) due to its exceptional insulating and arc-extinguishing properties. However, operational failures like arcing or overheating can lead the decomposition of SF6, releasing various gases such as H2S, SO2, SOF2, SO2F2, depending on fault type. The urgent need for efficient real-time sensors detect these highlighted. This study examines adsorption characteristics sensing materials based palladium phosphide (PdPS) composites with noble metals (Cu, Ag, Au) utilizing first-principles density functional theory simulations. analysis includes parameters distance, charge density, binding energy, transfer, molecular frontier orbitals, desorption kinetics. Optimal embedding sites were identified at TP positions PdPS surface, yielding energies −1.529 eV Cu, −0.987 −1.04 Au. Notably, while pristine exhibited unfavorable profiles, Cu-PdPS composite demonstrated significant capabilities −1.359 −1.245 −0.902 −0.806 SO2F2. Desorption kinetics reveal that Cu-modified system offers rapid times, notably 4.24 s SO2F2 room temperature, positioning it an excellent candidate ambient detection. Additionally, configuration shows enhanced versatility across varying temperatures, particularly excelling high-temperature conditions. findings underscore potential PdPS-based developing advanced sensors, paving way integrating low-power, high-sensitivity monitoring systems SF6 gas detection GIS applications, implications future research toward AI-driven models quantitative mixture analysis.

Language: Английский

Citations

5
First principle study of electronic, magnetic and optical properties of X-doped (X=Fe, Co and Cu) boron nitride nanotubes and its applications DOI
Abinash Thapa, Bikash Sharma, Bibek Chettri

et al.

Applied Physics A, Journal Year: 2025, Volume and Issue: 131(2)

Published: Jan. 27, 2025

Language: Английский

Citations

0
Ab-Initio Study of Run and Rhn (n = 1–3) Nanoclusters on Monolayer MoSSe for Sensing Industrial Toxic Gases DOI
Yang He, Haonan Xie,

Guozhi Lin

et al.

ACS Applied Nano Materials, Journal Year: 2025, Volume and Issue: unknown

Published: March 21, 2025

Language: Английский

Citations

0
Theoretical investigations of adsorption and sensing properties of M2Pc (M=Cr, Mo) monolayers towards volatile organic compounds DOI
Junhui Li,

Yifu Zhang,

Huihui Xiong

et al.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2025, Volume and Issue: unknown, P. 136750 - 136750

Published: March 1, 2025

Language: Английский

Citations

0
Dual-configuration Pd4 facilitates Janus SnSSe monolayer capture of electrical equipment fault gases (C2H2, C2H4, CO): A DFT Study DOI

Guozhi Lin,

Haonan Xie, Hao Wu

et al.

Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2024, Volume and Issue: unknown, P. 136015 - 136015

Published: Dec. 1, 2024

Language: Английский

Citations

1
Theoretical Investigation of Rhodium-Decorated Gallium Nitride Nanotubes for Sulfur Hexafluoride Decomposition Products Sensing and Scavenging Applications DOI
Qingfang Zhang, Shixian Fan, Jitao Zhang

et al.

Langmuir, Journal Year: 2024, Volume and Issue: 40(45), P. 24086 - 24094

Published: Nov. 1, 2024

Gas-insulated switchgear (GIS) plays an important role as a modern power distribution device in plants and stations, which is commonly filled with SF6 insulating gas. During the equipment operation, inevitable partial discharge causes to be broken down into gas (SF4, SOF2, SO2, H2S), degrades insulation performance of GIS. This paper devoted detection removal SF4 are not conducive insulation, by exploring new gas-sensing materials for characteristic detection. Based on first-principles calculation, one hand, most stable adsorption configurations rhodium-decorated gallium nitride nanotubes (Rh-GaNNTs) systems were obtained. On other doping mechanisms analyzed band structure, density states, deformation charge density, molecular orbital theory. Subsequently, gas-sensitive Rh-GaNNTs these four impurity gases was evaluated analyzing sensing response recovery time. The stability time ranked > SOF2 SO2 H2S; order influence sensitivity H2S ≈ SOF2. Calculation results show potential Rh-doped surfaces reusable sensors suggest their use scavengers remove especially

Language: Английский

Citations

0
Selectivity Tailoring of Polyaniline-based Gas Sensors towards Amine Homologs by Adsorption Regulation DOI
Qu Chen, Yifan Ren, Linlin Cao

et al.

Sensors and Actuators B Chemical, Journal Year: 2024, Volume and Issue: unknown, P. 137177 - 137177

Published: Dec. 1, 2024

Language: Английский

Citations

0