Unveiling the potential of two-dimensional Janus ScXAlY (X/Y=P, As) materials and heterostructures in visible-light-driven photocatalytic water splitting

Zhang, Tie; Lin, Jia-He; Mu, Yi; Jia, Xiao; Zhang, Tian

doi:10.1016/j.ijhydene.2023.11.143

Cited by 4 publications

(1 citation statement)

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“…Especially, 2D materials with Janus structures generate a builtin electric field due to uneven distribution of charge caused by the asymmetry of the geometrical structure. The built-in electric field brings about outstanding physicochemical properties such as out-of-plane piezoelectricity, strong spin-splitting, and enhanced separation of photogenerated, make 2D Janus materials promising for highly efficient spintronic and optoelectronic devices [29][30][31][32][33][34][35][36][37]. Particularly, the built-in electric field can provide the material a strong redox ability while having a band gap smaller than 1.23 eV, making it an excellent candidate for photocatalysts [38][39][40].…”

Section: Introductionmentioning

confidence: 99%

First-principles study on the electronic structure and photocatalytic properties of novel two-dimensional Janus CrXCN₄ (X = Si, Ge)

Huang,

Lang,

Wang

et al. 2024

J. Phys. D: Appl. Phys.

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Abundant studies demonstrate the significant role of Janus-structured two dimensional semiconductors as photocatalytic materials, highlighting their substantial advantages and importance in photocatalysis. In this work, CrXCN4(X = Si, Ge) Janus monolayers were constructed based on CrC2N4, and the thermal stability, thermodynamic stability, mechanical stability, electronic properties, and optical properties of the monolayers were systematically investigated. Furthermore, an investigation was conducted to examine the impact of biaxial strain on their electrical and light absorption properties. The findings reveal that both monolayers exhibit direct band gap characteristics, with high absorption coefficients for visible light owing to their appropriate band gaps (1.44 eV for CrSiCN4 and 1.15 eV for CrGeCN4, respectively). At compressive strains exceeding 3%, the CrSiCN4monolayer demonstrates an optimal band edge position, suggesting its potential as a photocatalyst for overall water splitting. Furthermore, as the compressive strain increases, the absorption spectra have blue-shifted and the absorption coefficient becomes higher, exceeding 2×105/cm under a -3% compressive strain. Our study highlights the potential applications of CrXCN4monolayers in the field of optoelectronic device, particularly emphasizing the promising candidacy of CrSiCN4 as an efficient photocatalyst.

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Section: Introductionmentioning

confidence: 99%

First-principles study on the electronic structure and photocatalytic properties of novel two-dimensional Janus CrXCN₄ (X = Si, Ge)

Huang,

Lang,

Wang

et al. 2024

J. Phys. D: Appl. Phys.

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Photocatalytic Z-scheme overall water splitting for hydrogen generation with Sc2CCl2/ML (ML = MoTe2, Hf2CO2) heterostructures

Li,

Yang,

Zhao

et al. 2024

International Journal of Hydrogen Energy

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Janus PtSSe-based van der Waals heterostructures for direct Z-scheme photocatalytic water splitting

Jamdagni,

Kumar,

Srivastava

et al. 2024

International Journal of Hydrogen Energy

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Unveiling the potential of two-dimensional Janus ScXAlY (X/Y=P, As) materials and heterostructures in visible-light-driven photocatalytic water splitting

Cited by 4 publications

References 70 publications

First-principles study on the electronic structure and photocatalytic properties of novel two-dimensional Janus CrXCN₄ (X = Si, Ge)

First-principles study on the electronic structure and photocatalytic properties of novel two-dimensional Janus CrXCN₄ (X = Si, Ge)

Photocatalytic Z-scheme overall water splitting for hydrogen generation with Sc2CCl2/ML (ML = MoTe2, Hf2CO2) heterostructures

Janus PtSSe-based van der Waals heterostructures for direct Z-scheme photocatalytic water splitting

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Unveiling the potential of two-dimensional Janus ScXAlY (X/Y=P, As) materials and heterostructures in visible-light-driven photocatalytic water splitting

Cited by 4 publications

References 70 publications

First-principles study on the electronic structure and photocatalytic properties of novel two-dimensional Janus CrXCN4 (X = Si, Ge)

First-principles study on the electronic structure and photocatalytic properties of novel two-dimensional Janus CrXCN4 (X = Si, Ge)

Photocatalytic Z-scheme overall water splitting for hydrogen generation with Sc2CCl2/ML (ML = MoTe2, Hf2CO2) heterostructures

Janus PtSSe-based van der Waals heterostructures for direct Z-scheme photocatalytic water splitting

Contact Info

Product

Resources

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First-principles study on the electronic structure and photocatalytic properties of novel two-dimensional Janus CrXCN₄ (X = Si, Ge)

First-principles study on the electronic structure and photocatalytic properties of novel two-dimensional Janus CrXCN₄ (X = Si, Ge)