Adsorption and gas sensing properties of Cun and Pdn (n = 1–3) clusters modified MoSe2 for lithium battery thermal runaway gases

Applied Surface Science, Год журнала: 2023, Номер 648, С. 158963 - 158963

Опубликована: Ноя. 20, 2023

Язык: Английский

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High-temperature solid lubrication applications of Transition Metal Dichalcogenides(TMDCs) MX2: A review

Nano Materials Science, Год журнала: 2024, Номер unknown

Опубликована: Июнь 1, 2024

With the rapid advancement of science and technology, along with an increasing global focus on space exploration, there is a growing concern for addressing friction wear issues in surface coatings components operating high-temperature environments within aerospace sector. However, typical currently face challenges effectively integrating excellent oxidation resistance, lubrication properties settings. Studies have demonstrated significant potential Transition Metal Dichalcogenides (TMDCs) as lubricant additives lubrication, attributable to their distinctive crystal structures. Thus, this review concentrates compositional design individual MX2-type (M ​= ​W, Mo, Nb, Ta; X ​S, Se) TMDCs (molybdenum disulfide (MoS2), tungsten (WS2), niobium diselenide (NbSe2), molybdenum (MoSe2), (WSe2)) composites, including inorganic oxygen-containing sulfides, explores utilization self-lubricating coatings. Furthermore, conventional preparation methods (mechanical exfoliation, liquid-phase ultrasonic chemical vapour deposition) synthesizing are outlined. Finally, analysis mechanism provided, future directions enhancing performance composite

Язык: Английский

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First-principles study on the effect of torsional deformation on WSe2 as an anode material for calcium ion batteries

Journal of Molecular Modeling, Год журнала: 2024, Номер 30(7)

Опубликована: Июнь 14, 2024

Язык: Английский

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Adsorption and sensing properties of dissolved gases in transformer oil using Cun and Pdn (n=1-3) cluster doped WSe2 monolayers

Sensors and Actuators A Physical, Год журнала: 2024, Номер 377, С. 115742 - 115742

Опубликована: Июль 24, 2024

Язык: Английский

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Theoretical study on the effect of shear deformation on WSe₂ as a cathode material for calcium ion batteries

International Journal of Quantum Chemistry, Год журнала: 2024, Номер 124(15)

Опубликована: Июль 29, 2024

Abstract In this paper, the first‐principles method is used to calculate electronic structure of intrinsic WSe 2 system and Ca adsorbed under shear deformation, diffusion barrier on studied in depth. The results show that deformation can effectively reduce band gap system, easily lead transition from semiconductor properties metal properties. adsorption leads change . contribution Ca‐d electrons an increase peak range 3–6 eV. reduces surface. This paper provides improvement for application field battery.

Язык: Английский

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Exploration of electronic structure and photocatalytic behavior in a GeSe/PtO2 two-dimensional heterojunction via first-principles analysis

Materials Today Chemistry, Год журнала: 2025, Номер 45, С. 102611 - 102611

Опубликована: Март 11, 2025

Язык: Английский

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Strain-induced modulation of electronic, optical, and transport properties in PtX2 (X=S, Se) monolayers

Physica B Condensed Matter, Год журнала: 2025, Номер unknown, С. 417191 - 417191

Опубликована: Апрель 1, 2025

Язык: Английский

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Effects of Pdn (n=1–4) doped WS2 monolayer on gas adsorption and electronic behavior: A first principles investigation

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 127, С. 608 - 619

Опубликована: Апрель 15, 2025

Язык: Английский

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MoS2 and WSe2 monolayers as anode materials for future Li, Na, and K ion batteries under electric field effect

Journal of Energy Storage, Год журнала: 2024, Номер 109, С. 115110 - 115110

Опубликована: Дек. 30, 2024

Язык: Английский

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