Spontaneous enhanced photocatalytic overall water splitting on AlO/WSi2N4 vdW heterojunction

Applied Surface Science, Год журнала: 2024, Номер 664, С. 160247 - 160247

Опубликована: Май 11, 2024

Язык: Английский

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Construction of a Z-scheme heterojunction based on two-dimensional Janus materials XWSiN2 (X=S; Se; Te) for effective photocatalytic water splitting by DFT

Surfaces and Interfaces, Год журнала: 2024, Номер 53, С. 105079 - 105079

Опубликована: Сен. 7, 2024

Язык: Английский

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Rational Design Heterobilayers Photocatalysts for Efficient Water Splitting Based on 2D Transition-Metal Dichalcogenide and Their Janus

Опубликована: Янв. 1, 2025

Direct Z-scheme-heterostructures with enhanced redox potential are increasingly regarded as promising materials for solar-driven water-splitting. This arises from the synergistic interaction between intrinsic dipoles in Janus and interfacial electric fields across layers. In this study, we explore photocatalytic of 20 two-dimensional Janus-transition-metal-dichalcogenide (TMD) heterobilayers efficient Utilizing density-functional theory calculations, first screen these based on key properties such band gaps magnitude to identify candidates. We then evaluate additional critical factors, including carrier mobility surface chemical reactions, fully assess their performance. By examining alignment synthetic internal fields, distinguish Type-I, Type-II, Z-scheme configurations, enabling targeted design optimal materials. Furthermore, employ Fröhlich model quantify contributions longitudinal-optical phonon mode, providing detailed insights into how mobility, influenced by scattering, affects Our results reveal that several Janus-TMDC heterobilayers, WSe2-SWSe, WSe2-TeWSe, WS2-SMoSe, exhibit strong absorption visible spectrum achieve solar-to-hydrogen conversion efficiencies up 33.24%. research highlights a viable pathway advancing clean energy generation through processes.

Язык: Английский

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The modulation of the electronic properties of MoSi2N4/CdS heterostructure by interlayer spacing, strain, and electric field: A first-principles investigations

Chinese Journal of Physics, Год журнала: 2025, Номер unknown

Опубликована: Фев. 1, 2025

Язык: Английский

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Direct Z-scheme SnS2/InS heterostructure for efficient visible-light photocatalytic hydrogen evolution

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 111, С. 95 - 104

Опубликована: Фев. 25, 2025

Язык: Английский

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