The Role of Point Defects in Heterojunction Photocatalysts: Perspectives and Outlooks

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: 34(48)

Published: July 22, 2024

Abstract The development of efficient photocatalysts is a mainstay for the advancement photocatalytic technology. Heterojunction can overcome inherent limitations single photocatalysts, integrating advantages each component, and achieving separation photogenerated charges, making them research focus in field photocatalysis. role point defects reactions diverse significantly influence performance photocatalysts. This review comprehensively summarizes latest advancements defect engineering modulation heterojunction First, types their impact on processes are introduced. Subsequently, common presented. Then, accordance with recent progress, regulatory mechanisms within outlined, particular functions surface/interfacial properties charge transfer processes. Finally, challenges faced by optimizing promising solutions proposed. provides an in‐depth understanding expectation offering insights into highly active materials.

Language: Английский

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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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Polarization-direction-controlled Z-scheme photocatalytic switch in Sc2CO2/PtS2 heterostructures: A first-principles study

Physical Review Applied, Journal Year: 2023, Volume and Issue: 20(4)

Published: Oct. 25, 2023

Constructing van der Waals (vdW) heterostructures is the most commonly used method for separating photogenerated carriers, which can effectively improve photocatalytic water-splitting efficiency. Although many vdW heterostructure photocatalysts have been proposed, there still a lack of effective strategies to regulate reaction ability. In this work, we propose ${\mathrm{Sc}}_{2}{\mathrm{CO}}_{2}/{\mathrm{Pt}\mathrm{S}}_{2}$ that achieve switch with different polarization directions (P \ensuremath{\uparrow} and P \ensuremath{\downarrow}). Both \ensuremath{\downarrow} are semiconductors type-II band-edge distribution. Remarkably, through analysis band arrangement built-in electric field, found two completely carrier-migration mechanisms inside heterostructures. The be as direct Z-scheme photocatalyst, showing great application prospect water splitting. contrast, cannot undergo reactions affected by direction field. Therefore, based on heterostructure, ``on'' ``off'' photocatalysis successfully achieved in single material. Additionally, Gibbs free-energy calculation, high light absorption, strain tunable gap indicate promising candidate applications.

Language: Английский

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Hydrogen evolution reaction in the hBNC/Janus MoSSe heterojunction: First-principles calculations

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 60, P. 369 - 377

Published: Feb. 21, 2024

Language: Английский

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Tunable Interfacial Electronic and Photoexcited Carrier Dynamics of an S-Scheme MoSi₂N₄/SnS₂ Heterojunction

The Journal of Physical Chemistry Letters, Journal Year: 2024, Volume and Issue: 15(10), P. 2740 - 2756

Published: March 4, 2024

Exploring and designing an efficient S-scheme heterojunction photocatalyst for water splitting are crucial. Herein, we report the interfacial electronics, photoexcited carrier dynamics, photocatalytic performance of MoSi2N4/SnS2 van der Waals under modulation electric field biaxial strain. Our results show that has a direct band gap 0.41 eV obeys charge transfer mechanism. Further calculations dynamics demonstrate recombination time is 7.22 ps, which shorter than electron (hole) 39.5 ps (566 ps). Moreover, effect positive tensile strain, exhibits excellent visible-light absorption, satisfactory band-edge potentials, tunable transfer, spontaneous hydrogen evolution reaction activity. The calculated STH efficiency indicates strain 2% most effective means improving heterojunction.

Language: Английский

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Exploration of two-dimensional XPY3 (X = Zn, Cd; Y S, Se) for photocatalytic water splitting

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 69, P. 1460 - 1468

Published: May 15, 2024

Language: Английский

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Efficient interfacial charge transfer in the MoSe2/SPtSe heterostructure improves the efficiency of hydrogen production from water splitting: A S-scheme photocatalyst

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 66, P. 676 - 688

Published: April 18, 2024

Language: Английский

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High carrier mobility ZrSSe/SnX (X=S, Se, S2, Se2) vdW heterostructures for photocatalytic overall water splitting: A first-principles study

Molecular Catalysis, Journal Year: 2023, Volume and Issue: 553, P. 113716 - 113716

Published: Nov. 25, 2023

Language: Английский

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Two-dimensional AlN/TMO van der Waals heterojunction as a promising photocatalyst for water splitting driven by visible light

Physical Chemistry Chemical Physics, Journal Year: 2023, Volume and Issue: 25(45), P. 30924 - 30933

Published: Jan. 1, 2023

The AlN/WO 2 heterojunction photocatalyst for water splitting.

Language: Английский

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A family of 2D APt2B3 (A = K, Rb, Cs; B = S, Se) with high-performance for photocatalytic water splitting

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 91, P. 363 - 370

Published: Oct. 15, 2024

Language: Английский

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