A type-II GaSe/HfS2 van der Waals heterostructure as promising photocatalyst with high carrier mobility

Huang

Phys. Chem. Chem. Phys.

et al. 2022

Section: Calculation Detailsmentioning

confidence: 99%

Theoretical scheme of nonvolatile strain-switchable high/low resistance based on novel strain-tunable magnetic anisotropy in the Mn_2.25Co_0.75Ga_0.5Sn_0.5/MgO superlattice

Huang

Phys. Chem. Chem. Phys.

et al. 2022

“…In addition, 2D HfS 2 was successfully prepared by the mechanical stripping method, which has attracted extensive attention from researchers ( Kanazawa et al, 2016 ; Wang et al, 2017 ; Wang et al, 2019 ). HfS 2 has a decent carrier mobility of 1,800 cm 2 v −1 s −1 ( Obeid et al, 2020 ). Importantly, HfS 2 can be constructed into type-II heterostructure with other different 2D materials, showing an obvious quantum effect ( Mattinen et al, 2019 ; Obeid et al, 2020 ).…”

Section: Introductionmentioning

confidence: 99%

First-Principles Calculations of Two-Dimensional CdO/HfS2 Van der Waals Heterostructure: Direct Z-Scheme Photocatalytic Water Splitting

et al. 2022

Using two-dimensional (2D) heterostructure as photocatalyst for water splitting is a popular strategy for the generation of hydrogen. In this investigation, the first-principles calculations are explored to address the electronic performances of the 2D CdO/HfS2 heterostructure formed by van der Waals (vdW) forces. The CdO/HfS2 vdW heterostructure has a 1.19 eV indirect bandgap with type-II band alignment. Importantly, the CdO/HfS2 vdW heterostructure possesses an intrinsic Z-scheme photocatalytic characteristic for water splitting by obtaining decent band edge positions. CdO donates 0.017 electrons to the HfS2 layer in the heterostructure, inducing a potential drop to further separate the photogenerated electrons and holes across the interface. The CdO/HfS2 vdW heterostructure also has excellent optical absorption capacity, showing a promising role as a photocatalyst to decompose the water.

“…For example, Liu et al proposed the MoSSe/g-GeC heterostructure as a promising photovoltaic application material in which visible optical absorption and catalytic activity can be adjusted by strain engineering ( Liu et al, 2021 ). M. M. Obeid and others revealed that GaSe/HfS 2 heterostructures have high carrier mobility and can be converted from semiconductor to metal and from indirect band gap to direct band gap when the external electric field is strengthened ( Obeid et al, 2020 ). Zhu et al found that GaN/Zr 2 CO 2 heterostructure has a promising application in tunable high-performance optoelectronic nanodevices due to its large conduction band offset (CBO) and tunable band gap ( Zhu et al, 2021 ).…”

Section: Introductionmentioning

confidence: 99%

Type-II Band Alignment and Tunable Optical Absorption in MoSSe/InS van der Waals Heterostructure

et al. 2022

In this work, we study the electronic structure, the effective mass, and the optical properties of the MoSSe/InS van der Waals heterostructures (vdWHs) by first-principles calculations. The results indicate that the MoSSe/InS vdWH is an indirect band gap semiconductor and has type-Ⅱ band alignment in which the electrons and holes located at the InS and the MoSSe side, respectively. The band edge position, the band gap and the optical absorption of the MoSSe/InS vdWH can be tuned when biaxial strains are applied. In addition, compared with MoSSe and InS monolayers, the optical absorption of the MoSSe/InS vdWH is improved both in the visible and the ultraviolet regions. These findings indicate that the MoSSe/InS vdWHs have potential applications in optoelectronic devices.