Fabrication of Co2RuS6/CdS Z-scheme heterojunction with sulfur vacancy for enhanced piezo-photocatalytic H2 evolution and in-depth analysis of charge-separation mechanism

International Journal of Hydrogen Energy, Год журнала: 2023, Номер 51, С. 1267 - 1276

Опубликована: Ноя. 16, 2023

Язык: Английский

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Direct Z-scheme ZrS2/InP heterostructure as an efficient photocatalyst for overall water-splitting under acidic, alkaline and neutral environments

Materials Science in Semiconductor Processing, Год журнала: 2024, Номер 185, С. 108857 - 108857

Опубликована: Авг. 30, 2024

Язык: 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, Год журнала: 2024, Номер 94, С. 166 - 178

Опубликована: Ноя. 11, 2024

Язык: Английский

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High-efficiency photocatalytic hydrogen production and wide-range strain in Z-type heterojunction GaN/PtS2 based on first-principles

Molecular Catalysis, Год журнала: 2024, Номер 572, С. 114769 - 114769

Опубликована: Дек. 9, 2024

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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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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Mechanism study on direct Z-scheme HfSSe/Arsenene van der Waals heterojunction for photocatalytic water splitting

International Journal of Hydrogen Energy, Год журнала: 2024, Номер 81, С. 785 - 794

Опубликована: Июль 26, 2024

Язык: Английский

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Tailoring band structures and photocatalytic overall water splitting in a two-dimensional GaN/black phosphorus heterojunction: First-principles calculations

Journal of Applied Physics, Год журнала: 2024, Номер 136(6)

Опубликована: Авг. 9, 2024

This study investigates the impact of biaxial strain on monolayer black phosphorus (BP) through first-principles calculations, confirming its stability and subsequently modifying photocatalytic performance. Under strain, BP exhibits a direct bandgap suitable for hydrogen production during water splitting, albeit with limitations due to valence band maximum edge. A distinctive GaN/BP heterojunction is proposed, featuring advantageous edge positions conducive efficient overall splitting. influence type undergoes transition from type-I type-II Z, augmenting separation photoexcited electrons holes markedly enhancing efficiency production. Furthermore, commendable capabilities in absorbing visible light. research provides promising avenue surmount constraints associated photocatalysis, offering valuable insights development materials.

Язык: Английский

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Screener and Enumerator with Force-Field Optimization (Seffo): Algorithm for Searching Adsorption Sites and Configurations on 2d Materials

Опубликована: Янв. 1, 2024

Download This Paper Open PDF in Browser Add to My Library Share: Permalink Using these links will ensure access this page indefinitely Copy URL DOI

Язык: Английский

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Enhanced photocatalytic hydrogen and oxygen evolution activity by two-dimensional van der Waals AlSb/ZnO heterostructure: A first-principles study

Surfaces and Interfaces, Год журнала: 2024, Номер 55, С. 105397 - 105397

Опубликована: Ноя. 12, 2024

Язык: Английский

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