Discovery of two-dimensional Ga2S3 monolayers for efficient photocatalytic overall water splitting to produce hydrogen

Applied Surface Science, Год журнала: 2023, Номер 626, С. 157215 - 157215

Опубликована: Апрель 11, 2023

Язык: Английский

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Electronic, Optical, piezoelectric properties and photocatalytic water splitting performance of Two-dimensional group IV-V compounds

Applied Surface Science, Год журнала: 2023, Номер 627, С. 157317 - 157317

Опубликована: Апрель 23, 2023

Язык: Английский

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On the excitonic effects of the 1T and 1OT phases of PdS2, PdSe2, and PdSSe monolayers

Journal of Physics and Chemistry of Solids, Год журнала: 2023, Номер 182, С. 111573 - 111573

Опубликована: Июль 31, 2023

Язык: Английский

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Anisotropic Janus monolayers BXY (X = P, as or Sb, Y = S, Se or Te) for photocatalytic water splitting: A first-principles study

Solar Energy, Год журнала: 2025, Номер 288, С. 113320 - 113320

Опубликована: Фев. 6, 2025

Язык: Английский

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First-principles study of Ga₂Ge₂S₃Se₃ monolayer: a promising photocatalyst for water splitting

RSC Advances, Год журнала: 2025, Номер 15(10), С. 8060 - 8071

Опубликована: Янв. 1, 2025

The Ga 2 Ge S 3 Se monolayer: a promising 2D photocatalyst with high solar-to-hydrogen efficiency, efficient charge separation, and electron mobility.

Язык: Английский

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Photocatalytic Water Splitting Performance of ScTeI Monolayer with Janus Structure: A First-Principles Study

Materials Today Communications, Год журнала: 2025, Номер unknown, С. 112238 - 112238

Опубликована: Март 1, 2025

Язык: Английский

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First-Principles Investigation of MoS₂/MoSe₂-Janus XMoSiZ₂ (X = S, Se, Te; Z = N, P) Heterostructures as Photocatalysts for Water Splitting

ACS Applied Nano Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 19, 2025

Язык: Английский

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Janus XYZ2 (X/Y = Al, Ga, and in; X ≠ Y; Z = S, se, and Te) monolayers: Excellent pHotocatalysts for water splitting

Chemical Physics, Год журнала: 2025, Номер unknown, С. 112714 - 112714

Опубликована: Март 1, 2025

Язык: Английский

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Direct Z-scheme SnC/InP heterostructure photocatalyst for overall water-splitting with broad optical absorption and strong catalytic activity

Chemical Physics, Год журнала: 2025, Номер unknown, С. 112720 - 112720

Опубликована: Март 1, 2025

Язык: Английский

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Insights Into the Infrared Optical Properties of Janus WSSe Monolayer Doped With Pb, Pt, and Hg Based on the First Principles

ChemistrySelect, Год журнала: 2025, Номер 10(14)

Опубликована: Апрель 1, 2025

Abstract This study systematically investigates the infrared optical properties of 2D Janus WSSe monolayers doped with Pb, Pt, and Hg using first principles calculations. By constructing supercell models different doping concentrations (4%, 6.25%, 11.11%), regulatory mechanisms on electronic structures (band structures, density states) (absorption coefficients) are analyzed. The results show that significantly enhances absorption performance. Specifically, at 11.11% concentration achieves highest peak 0.63 eV (αmax = 8.8 × 10⁴ cm⁻¹), Pt forms a single strong 0.87 Pb exhibits dual peaks 0.67 1.44 11.11%. Doping elements alter band structure through orbital hybridization (e.g., Hg‐d/Se‐p, Pt‐d/W‐d, Pb‐p/W‐d). leads to bandgap type transition (direct → indirect) high concentrations, while maintain direct bandgap. research reveals collaborative regulation by providing theoretical basis for designing efficient optoelectronic devices.

Язык: Английский

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