Biaxial strain tunable photocatalytic properties of 2D ZnO/GeC heterostructure

Wang, Guangzhao; Zhang, Ling; Li, Yumo; Zhao, Wenxi; Kuang, Anlong; Li, Yadong; Xia, Liangping; Xiao, Shuyuan

doi:10.1088/1361-6463/ab440e

Cited by 76 publications

(44 citation statements)

References 51 publications

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“…Prior investigations with vdWHs, including BP/GaN 31 , ZnO/MoS 2 32 , GaN/GeC 33 , 34 , ZnO/WSe 2 35 , blue phosphorene/g-GaN 36 , graphene/g-C 3 N 4 37 , CdO/CdS 38 , h -BN/C 2 N 39 , ZnO/GeC 40 , and blue phosphorene/MoS 2 41 , have outlined some promising optoelectronic features. These vdWHs demonstrate a highly tunable bandgap, large absorption coefficient, efficient isolation of the carrier, and contingent stacking tunability resulting in improved photocatalytic operations.…”

Section: Introductionmentioning

confidence: 99%

Superior tunable photocatalytic properties for water splitting in two dimensional GeC/SiC van der Waals heterobilayers

Islam

Mitul

et al. 2021

Sci Rep

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The photocatalytic characteristics of two-dimensional (2D) GeC-based van der Waals heterobilayers (vdW-HBL) are systematically investigated to determine the amount of hydrogen (H2) fuel generated by water splitting. We propose several vdW-HBL structures consisting of 2D-GeC and 2D-SiC with exceptional and tunable optoelectronic properties. The structures exhibit a negative interlayer binding energy and non-negative phonon frequencies, showing that the structures are dynamically stable. The electronic properties of the HBLs depend on the stacking configuration, where the HBLs exhibit direct bandgap values of 1.978 eV, 2.278 eV, and 2.686 eV. The measured absorption coefficients for the HBLs are over ~ 105 cm−1, surpassing the prevalent conversion efficiency of optoelectronic materials. In the absence of external strain, the absorption coefficient for the HBLs reaches around 1 × 106 cm−1. With applied strain, absorption peaks are increased to ~ 3.5 times greater in value than the unstrained HBLs. Furthermore, the HBLs exhibit dynamically controllable bandgaps via the application of biaxial strain. A decrease in the bandgap occurs for both the HBLs when applied biaxial strain changes from the compressive to tensile strain. For + 4% tensile strain, the structure I become unsuitable for photocatalytic water splitting. However, in the biaxial strain range of − 6% to + 6%, both structure II and structure III have a sufficiently higher kinetic potential for demonstrating photocatalytic water-splitting activity in the region of UV to the visible in the light spectrum. These promising properties obtained for the GeC/SiC vdW heterobilayers suggest an application of the structures could boost H2 fuel production via water splitting.

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Section: Introductionmentioning

confidence: 99%

Superior tunable photocatalytic properties for water splitting in two dimensional GeC/SiC van der Waals heterobilayers

Islam

Mitul

et al. 2021

Sci Rep

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“…Especially, some ZnO monolayer‐based heterostructures are ZnO/MoS 2 , ZnO/WS 2 , ZnO/WSe 2 , ZnO/AlN, and N‐ZnO/g‐C 3 N 4 . Shen and coworkers have applied vertical strain to modulate the photocatalytic activity of ZnO/GeC heterostructure, and our previous work reports that biaxial strain can effectively tune the photocatalytic performance for ZnO/GeC heterostructure. These encourage us to design more efficient ZnO‐based photocatalysts.…”

Section: Introductionmentioning

confidence: 99%

Rotation Tunable Photocatalytic Properties of ZnO/GaN Heterostructures

Wang

Tang

Geng

et al. 2019

Physica Status Solidi (b)

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Using hybrid density functional calculations, the influence of rotation angles on the photocatalytic performance of 2D ZnO/GaN heterostructures is explored. The results show that the bandgaps and band alignments for ZnO/GaN heterostructures can be tuned by rotation angles. Rotated ZnO/GaN heterostructures are favorable for visible light absorption. Band alignments of different rotated ZnO/GaN heterostructures are severally thermodynamically favorable for spontaneous generation of hydrogen and oxygen with the pH scope of 0–14, 3–14, 2–14, 1–14, 1–14, and 4–14. In addition, the formed built‐in electric field across ZnO/GaN heterostructure interface promotes photogenerated carrier migration and inhibits photogenerated carrier recombination. These factors make rotated ZnO/GaN heterostructures promising for visible light water splitting. The findings pay a new way to design 2D heterostructures used for photocatalytic water splitting.

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“…Loading 2D materials on varied substrates can mechanically modulate bandgaps and band edges of 2D materials . Thus, it is of great importance to discuss the influence on the band edges and bandgaps of CdCHTs caused by strains.…”

Section: Resultsmentioning

confidence: 99%

2D CdO‐Based Heterostructure as a Promising Visible Light Water‐Splitting Photocatalyst

Wang

Yan

Xia

et al. 2020

Physica Status Solidi (a)

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A 2D CdO/g-C 3 N 4 heterostructure (CdCHT) is designed as a potential photocatalyst. Using first-principle calculations, it is found that CdCHT is a type-II heterostructure, which promotes the separation of photoinduced carriers and thereby facilitates water reduction and oxidation at different layers. Visible lightabsorption ability is obviously improved compared with the constituent single layers. Especially, the band edge alignments of CdCHTs with biaxial strains satisfy water redox energy levels within the pH range between 4.3 and 12.3, which ensures the occurrence of the water redox reaction. Furthermore, the calculation of free energy proves the high hydrogen production activity of CdCHT. These factors render CdCHT to be suitable for water-splitting photocatalysis.

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Biaxial strain tunable photocatalytic properties of 2D ZnO/GeC heterostructure

Cited by 76 publications

References 51 publications

Superior tunable photocatalytic properties for water splitting in two dimensional GeC/SiC van der Waals heterobilayers

Superior tunable photocatalytic properties for water splitting in two dimensional GeC/SiC van der Waals heterobilayers

Rotation Tunable Photocatalytic Properties of ZnO/GaN Heterostructures

2D CdO‐Based Heterostructure as a Promising Visible Light Water‐Splitting Photocatalyst

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