Rational design of single transition-metal atoms anchored on a PtSe₂ monolayer as bifunctional OER/ORR electrocatalysts: a defect chemistry and machine learning study

Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(9), P. 5451 - 5463

Published: Jan. 1, 2024

Design of low overpotential bifunctional OER/ORR electrocatalysts by adjusting the charge states TM@PtSe 2 is a new effective method.

Language: Английский

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Construction of Z-scheme InN/BTe heterostructure for enhanced photocatalytic hydrogen evolution: DFT calculation and mechanism study

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 68, P. 289 - 296

Published: April 26, 2024

Language: Английский

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Advancements in dual S-scheme heterojunction systems for photocatalytic applications: A mini-review

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 100, P. 1361 - 1384

Published: Dec. 30, 2024

Language: Английский

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

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 111, P. 95 - 104

Published: Feb. 25, 2025

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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Two-Dimensional SiH/g-C3N4 van der Waals Type-II Heterojunction Photocatalyst: A New Effective and Promising Photocatalytic Material

Coatings, Journal Year: 2024, Volume and Issue: 14(3), P. 263 - 263

Published: Feb. 22, 2024

The two-dimensional layered heterostructure have been demonstrated as an effective method for achieving efficient photocatalytic hydrogen production. In this work, we propose, the first time, creation of van der Waals heterostructures from monolayers SiH and g-C3N4 using first-principle calculations. We also systematically investigated additional properties such electronic structure optical behavior composed monolayers. results study show that SiH/g-C3N4 is categorized a type-II heterostructure, which has bandgap 2.268 eV. Furthermore, interface was observed to efficiently separate transfer photogenerated charges, resulting in enhanced redox performance. Moreover, calculation HOMO (Highest occupied molecular orbital) LUMO (Least unoccupied charge density difference can further confirm heterojunction heterojunction, excellent production water decomposition addition, exhibited HER (Hydrogen evolution reaction) efficiency. This essential process splitting. heterojunctions, potential required splitting spanned by band edge potential. Calculating absorption spectra, it discovered possesses outstanding within visible-light range, implying its high efficiency research provides broader direction investigation novel photocatalysts offers theoretical guidance future photocatalysts.

Language: Английский

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Efficient visible-light-driven photocatalytic hydrogen evolution in novel type-II SnS2/Al2S2 van der Waals heterostructures

Materials Today Communications, Journal Year: 2024, Volume and Issue: 40, P. 109667 - 109667

Published: June 25, 2024

Language: Английский

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PtSe2/TiO2 nanotubes heterostructure for enhanced photoelectrochemical water splitting

Journal of Materials Science, Journal Year: 2024, Volume and Issue: 59(32), P. 15201 - 15220

Published: Aug. 1, 2024

Language: Английский

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Solar-driven water decontamination via a novel N-MIL-53(Fe)/Bi4O5I2 Z-scheme heterojunction photocatalyst: The role of abundant reactive oxygen species and rapid interfacial charge transfer

Journal of Water Process Engineering, Journal Year: 2025, Volume and Issue: 70, P. 106930 - 106930

Published: Jan. 9, 2025

Language: 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, Journal Year: 2025, Volume and Issue: unknown, P. 112720 - 112720

Published: March 1, 2025

Language: Английский

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