Cu-decorated HfS2 and Cu-embedded HfS2 for adsorption and gas sensing of lithium-ion thermal runaway gases: A DFT study

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 46, P. 104028 - 104028

Published: Feb. 3, 2024

Language: Английский

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Adsorption and detection analysis of metal clusters (Pt3, Rh3) modified WTe2 monolayers to dissolved gases (CO, CO2, H2, C2H2) in transformer oil: A density functional theory study

Colloids and Surfaces A Physicochemical and Engineering Aspects, Journal Year: 2024, Volume and Issue: 700, P. 134670 - 134670

Published: July 1, 2024

Language: Английский

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Adsorption and sensing properties of Janus MoSTe materials for characteristic gases (CO, C2H2, C2H4, CH4) in power transformers: A DFT study

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 102, P. 1253 - 1266

Published: Jan. 15, 2025

Language: Английский

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Exploration on the application of copper oxide particles doped janus ZrSSe in detecting dissolved gases in oil-immersed transformers: A DFT study

Materials Today Chemistry, Journal Year: 2024, Volume and Issue: 38, P. 102038 - 102038

Published: April 10, 2024

Language: Английский

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DFT study of Cun (n = 1–3) cluster-modified WSe2 monolayers for the detection of SF6 decomposition gases (H2S, SO2, SOF2 and SO2F2)

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 52, P. 104904 - 104904

Published: Aug. 11, 2024

Language: Английский

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Potential room temperature Li-ion battery thermal runaway gases sensor based on heterometal-doped CdS monolayer: Insights from DFT study

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 94, P. 1036 - 1045

Published: Nov. 16, 2024

Language: Английский

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Machine learning-assisted development of TMDs-type gas-sensitive materials for dissolved gases in oil-immersed transformer oils

Materials Today Chemistry, Journal Year: 2025, Volume and Issue: 44, P. 102583 - 102583

Published: Feb. 13, 2025

Language: Английский

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Sensing Performance of Cr_n (n = 1–3) Clusters Doped WSe₂ and WTe₂ for Gases in Power Transformer Winding Deformation Fault by DFT Calculation

Langmuir, Journal Year: 2025, Volume and Issue: unknown

Published: March 27, 2025

In order to verify the adsorption effect of WTe2 on fault gas power transformer winding deformation, this paper uses density functional theory (DFT) study and compare mechanism sensing characteristics three gases (CO, CO2, C2H2) surface WSe2 substrates after cluster doping with Crn (n = 1-3). By analyzing binding energy, band structure, distance, DCD DOS two substrate systems, Cr doped is compared. Higher stability conductivity indicate that beneficial for substrates. CO CO2 have best performance among systems Cr2-WSe2, while C2H2 can be captured by Cr3-WTe2. This also analyzes work function, gap energy gap, further verifying changes described in previous article. addition, recovery time sensitivity are used discuss practical application prospects doping, corresponding conclusions obtained. provides a theoretical basis evaluating preventing deformation failures transformers, new insights into whether as mainstream gas-sensitive material engineering fields.

Language: Английский

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Adsorption of CF3SO2F decomposition products by HfS2 vacancy structures as a promising detection device: A DFT study

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 45, P. 103868 - 103868

Published: Jan. 7, 2024

Language: Английский

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DFT insights into the TM(Cu, Ni, Ag) and TMO(CuO, NiO, Ag2O) modified HfSe2 for detecting PD fault gases

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: 1239, P. 114755 - 114755

Published: July 10, 2024

Language: Английский

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