Janus PtSSe-based van der Waals heterostructures for direct Z-scheme photocatalytic water splitting

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 66, P. 268 - 277

Published: April 13, 2024

Language: Английский

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Design and evaluation of Y2Te2I2 monolayer: A promising 2D photocatalytic water splitter

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 106, P. 1066 - 1075

Published: Feb. 8, 2025

Language: Английский

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Janus monolayer SiXY (X = P, as and Sb, Y = N, P, As) for photocatalytic water splitting

Applied Surface Science, Journal Year: 2023, Volume and Issue: 621, P. 156883 - 156883

Published: March 2, 2023

Language: Английский

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First-principles study on the optoelectronic and photocatalytic properties of the C2h-Janus Al2XY(X/Y S, Se and Te) monolayers

Materials Today Chemistry, Journal Year: 2024, Volume and Issue: 35, P. 101913 - 101913

Published: Jan. 1, 2024

Language: Английский

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Photocatalytic water splitting and charge carrier dynamics of Janus PtSSe/ζ-phosphorene heterostructure

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Sept. 16, 2024

On the basis of first-principles calculations and non-adiabatic molecular dynamics (NAMD) simulations, we explore photocatalytic water splitting properties PtSSe/ζ-Phosphorene heterostructure. This heterostructure possess semiconducting nature with high carrier mobility (≈ 10

Language: Английский

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GaSe/YAlS3: A type-II van der Waals heterostructure with ultrahigh solar-to-hydrogen efficiency for photocatalytic water splitting

International Journal of Hydrogen Energy, Journal Year: 2023, Volume and Issue: 55, P. 1254 - 1264

Published: Nov. 22, 2023

Language: Английский

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Harnessing intrinsic electric fields in 2D Janus MoOX (X=S, Se, and Te) monolayers for enhanced photocatalytic hydrogen evolution

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 68, P. 566 - 574

Published: April 30, 2024

Two-dimensional (2D) Janus monolayers, distinguished by their intrinsic vertical electric fields, emerge as highly efficient and eco-friendly materials for advancing the field of hydrogen evolution reactions (HER). In this study, we explore, first time, potential viability oxygenation phase two-dimensional transition metal dichalcogenides MoOX (X = S, Se, Te) monolayers an exceptionally photocatalyst production. Based on first-principles computations, demonstrate that all three exhibit semiconductor behavior, characterized a band gap ranging from 0.66 to 1.55 eV. This narrow renders proposed at absorbing light within visible region. Excitingly, introduction electrostatic difference ΔΦ has granted us ability surpass conventional bandgap limit (Eg≥1.23). Consequently, favorable alignment with respect vacuum level. Moreover, calculated solar-to-hydrogen efficiency envisaged monolayer exceeds established theoretical limit. Particularly, MoOTe emerges infrared-light-driven photocatalyst, demonstrating remarkable up 25,21% when considering entire solar spectrum. A thorough examination Gibbs free energy differences across these revealed values during are significantly smaller approach optimum, in contrast parental dichalcogenides. Our results conclusively establish exceptional photocatalysts reactions. Notably, efficacy is demonstrated even lack co-catalysts or sacrificial agents.

Language: Английский

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A first-principles prediction of the structural, electronic, transport and photocatalytic properties of GaGeX₃ (X = S, Se, Te) monolayers

RSC Advances, Journal Year: 2024, Volume and Issue: 14(23), P. 15979 - 15986

Published: Jan. 1, 2024

The GaGeSe 3 monolayer: a promising 2D material for photocatalysts and electronics with high solar-to-hydrogen conversion efficiency electron mobility.

Language: Английский

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ZrS2/Ga2SSe heterojunction: A direct Z-scheme heterojunction with excellent photocatalytic performance across the entire pH range and high solar-to-hydrogen efficiency

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 94, P. 166 - 178

Published: Nov. 11, 2024

Language: Английский

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First-principles prediction of two-dimensional Janus XMInZ2(X = Cl, Br, I; M

Applied Surface Science, Journal Year: 2023, Volume and Issue: 623, P. 157020 - 157020

Published: March 15, 2023

Language: Английский

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