Ultrahigh photocurrents and polarization sensitivity of BC6N/Janus MoSSe heterostructure photodetector with asymmetric contacts

Diamond and Related Materials, Год журнала: 2025, Номер unknown, С. 111965 - 111965

Опубликована: Янв. 1, 2025

Язык: Английский

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Self-defined monolayers, bilayers and trilayers of two-dimensional Janus MoSSe and Ga2SSe van der Waals homojunctions as potential photocatalysts for overall water splitting

Renewable Energy, Год журнала: 2025, Номер unknown, С. 122829 - 122829

Опубликована: Март 1, 2025

Язык: Английский

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Transition metal-doped SnSe2/MoSe2 heterostructures: Modulating electronic, magnetic, and optical properties for spintronic and optoelectronic devices

Applied Surface Science, Год журнала: 2025, Номер unknown, С. 162758 - 162758

Опубликована: Фев. 1, 2025

Язык: Английский

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DFT Investigation of a Direct Z-Scheme Photocatalyst for Overall Water Splitting: Janus Ga2SSe/Bi2O3 Van Der Waals Heterojunction

Materials, Год журнала: 2025, Номер 18(7), С. 1648 - 1648

Опубликована: Апрель 3, 2025

Constructing van der Waals heterojunctions with excellent properties has attracted considerable attention in the field of photocatalytic water splitting. In this study, four patterns, coined A, B, C, and D Janus Ga2SSe/Bi2O3 (vdW) different stacking modes, were investigated using first-principles calculations. Their stability, electronic structure, optical analyzed detail. Among these, patterns A C demonstrate stable behavior operate as direct Z-scheme photocatalysts, exhibiting band gaps 1.83 eV 1.62 eV. addition, suitable edge positions make them effective for decomposition. The built-in electric across heterojunction interface effectively inhibits electron-hole recombination, thereby improving efficiency. absorption coefficients show that exhibit higher light intensity than Ga2SSe Bi2O3 monolayers, spanning from ultraviolet to visible range. corrected solar-to-hydrogen (STH) efficiencies are 13.60% 12.08%, respectively. application hydrostatic pressure biaxial tensile strain distinct effects on performance: preferentially enhances hydrogen evolution reaction (HER), while primarily improves oxygen (OER). Furthermore, exhibited enhanced UV-visible spectrum increasing pressure. Notably, a 1% results an improvement These hold great promise photocatalysts overall

Язык: Английский

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Two-dimensional SiH/In2XY (X, Y S, Se) van der Waals heterostructures for efficient water splitting photocatalysis: A DFT approach

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 128, С. 523 - 533

Опубликована: Апрель 18, 2025

Язык: Английский

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Two-Dimensional Polarized Blue P/SiS Heterostructures as Promising Photocatalysts for Water Splitting

Molecules, Год журнала: 2024, Номер 29(18), С. 4355 - 4355

Опубликована: Сен. 13, 2024

Two-dimensional (2D) polarized heterostructures with internal electric fields are potential photocatalysts for high catalytic performance. The Blue P/SiS van der Waals were formed from monolayer P and polar SiS different stacking interfaces, including Si-P P-S interfaces. structural, electronic, optical photocatalytic properties of the studied via first-principle calculations. results showed that Si-P-2 or P-S-4 order contributes to most stable heterostructure interface. direction field is 001 surface toward 001¯ surface, which helpful separating photo-generated electron-hole pairs. bandgap electrostatic differences in Si-P-2(P-S-4) 1.74 eV (2.30 eV) 0.287 (0.181 eV), respectively. Moreover, possess suitable band alignment wide ultraviolet visible light spectrum regions. All suggest 2D novel water splitting under a region.

Язык: Английский

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Stacking-dependent and electric field-driven electronic properties and band alignment transitions in γ-GeSe/Ga₂SSe heterostructures: a first-principles study

Nanoscale Advances, Год журнала: 2024, Номер unknown

Опубликована: Дек. 12, 2024

In this work, we present a comprehensive investigation into the electronic properties and contact behavior of γ-GeSe/Ga 2 SSe heterostructures using first-principles calculations.

Язык: Английский

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Single-atom anchored van der Waals heterojunctions for efficient Z-scheme photocatalytic overall water splitting

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 92, С. 580 - 589

Опубликована: Окт. 25, 2024

Язык: Английский

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