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

Nianjun Luo,

Wenyi Tang

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 92, P. 580 - 589

Published: Oct. 25, 2024

Language: Английский

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

Wei Han,

You Xie,

Jia-Yu Hao

et al.

Diamond and Related Materials, Journal Year: 2025, Volume and Issue: unknown, P. 111965 - 111965

Published: Jan. 1, 2025

Language: Английский

Citations

3
Self-defined monolayers, bilayers and trilayers of two-dimensional Janus MoSSe and Ga2SSe van der Waals homojunctions as potential photocatalysts for overall water splitting DOI
Fan Yang, Marie‐Christine Record, Pascal Boulet

et al.

Renewable Energy, Journal Year: 2025, Volume and Issue: unknown, P. 122829 - 122829

Published: March 1, 2025

Language: Английский

Citations

1
Transition metal-doped SnSe2/MoSe2 heterostructures: Modulating electronic, magnetic, and optical properties for spintronic and optoelectronic devices DOI

Mei Wu,

Yiyu Feng, Zheng Kang

et al.

Applied Surface Science, Journal Year: 2025, Volume and Issue: unknown, P. 162758 - 162758

Published: Feb. 1, 2025

Language: Английский

Citations

0
DFT Investigation of a Direct Z-Scheme Photocatalyst for Overall Water Splitting: Janus Ga2SSe/Bi2O3 Van Der Waals Heterojunction DOI Open Access
Fan Yang, Pascal Boulet, Marie‐Christine Record

et al.

Materials, Journal Year: 2025, Volume and Issue: 18(7), P. 1648 - 1648

Published: April 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

Language: Английский

Citations

0
Two-dimensional SiH/In2XY (X, Y S, Se) van der Waals heterostructures for efficient water splitting photocatalysis: A DFT approach DOI
Iqtidar Ahmad, Ismail Shahid, Anwar Ali

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 128, P. 523 - 533

Published: April 18, 2025

Language: Английский

Citations

0
Two-Dimensional Polarized Blue P/SiS Heterostructures as Promising Photocatalysts for Water Splitting DOI Creative Commons
Yin Liu, Di Gu, Xiaoma Tao

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(18), P. 4355 - 4355

Published: Sept. 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.

Language: Английский

Citations

1
Stacking-dependent and electric field-driven electronic properties and band alignment transitions in γ-GeSe/Ga2SSe heterostructures: a first-principles study DOI

Nguyen V. Vinh,

Dung V. Lu, Khang D. Pham

et al.

Nanoscale Advances, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 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.

Language: Английский

Citations

1
Single-atom anchored van der Waals heterojunctions for efficient Z-scheme photocatalytic overall water splitting DOI
Jie Yang,

Nianjun Luo,

Wenyi Tang

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 92, P. 580 - 589

Published: Oct. 25, 2024

Language: Английский

Citations

0