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

open access: yesFrontiers in Chemistry, 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 ...
Qiuhua Zhang   +5 more
doaj   +1 more source

Additive manufacturing of promising heterostructure for biomedical applications

open access: yesInternational Journal of Extreme Manufacturing, 2023
As a new generation of materials/structures, heterostructure is characterized by heterogeneous zones with dramatically different mechanical, physical or chemical properties.
Cijun Shuai   +4 more
doaj   +1 more source

Effects of Vacancy Defects on Electrical and Optical Properties of ZnO/WSe2 Heterostructure: First-Principles Study

open access: yesMetals, 2022
In this work, based on the first principles calculation of density functional theory (DFT), we studied the band structure changes of monolayer ZnO and ZnO/WSe2 before and after vacancy generation, and systematically studied the vacancy formation energy ...
Xi Yong   +4 more
doaj   +1 more source

Ternary Heterostructures Based on BaTiO3/MoO3/Ag for Highly Efficient and Reusable Photocatalytic Applications

open access: yesAdvanced Materials Interfaces, 2023
This work shows the fabrication of an efficient ternary heterostructure photocatalyst by integrating ferroelectric BaTiO3 (BTO) as the bottom layer, semiconductor MoO3 as the middle layer and plasmonic silver nanoparticles (Ag NPs) as the top layer ...
Kevin V. Alex   +3 more
doaj   +1 more source

Ab Initio Calculations for the Electronic, Interfacial and Optical Properties of Two-Dimensional AlN/Zr2CO2 Heterostructure

open access: yesFrontiers in Chemistry, 2021
Recently, expanding the applications of two-dimensional (2D) materials by constructing van der Waals (vdW) heterostructures has become very popular. In this work, the structural, electronic and optical absorption performances of the heterostructure based
Kai Ren   +5 more
doaj   +1 more source

Theoretical study of electrode materials for sodium ion batteries based on Graphether/Graphene heterostructure [PDF]

open access: yesE3S Web of Conferences, 2021
The graphether/graphene vdW heterostructure has been systematically studied as an electrode material for sodium batteries based on density functional theory. We predict that the graphether/graphene heterostructure exhibits low diffusion barrier and large
Li Lei, Liu Chun-Sheng
doaj   +1 more source

Lattice-mismatch-free construction of III-V/chalcogenide core-shell heterostructure nanowires

open access: yesNature Communications, 2023
Growing high-quality core-shell heterostructure nanowires is still challenging due to the lattice mismatch issue at the radial interface. Herein, a versatile strategy is exploited for the lattice-mismatch-free construction of III-V/chalcogenide core ...
Fengjing Liu   +16 more
doaj   +1 more source

The Transition from Type-I to Type-II SiC/GaN Heterostructure with External Strain

open access: yesCrystals, 2023
Two-dimensional materials are widely used as a new generation of functional materials for photovoltaic, photocatalyst, and nano-power devices. Strain engineering is a popular method to tune the properties of two-dimensional materials so that performances
Li Zhang   +5 more
doaj   +1 more source

Topological sliding moiré heterostructure [PDF]

open access: yesPhysical Review B, 2020
We investigate the effect of sliding motion of layers in Moir heterostructures on the electronic state. We show that the sliding Moir heterostructure can generate nontrivial topology characterized by the first and second Chern number in the high dimensional manifold spanned by the physical dimensions and synthetic dimensions associated with the ...
Ying Su, Shi-Zeng Lin
openaire   +2 more sources

Band Bending Mechanism in CdO/Arsenene Heterostructure: A Potential Direct Z-scheme Photocatalyst

open access: yesFrontiers in Chemistry, 2021
For the few years, two-dimensional (2D) materials have aroused general focus. In order to expand the properties and application range of 2D materials, two different layered materials are usually combined into heterostructure through van der Waals (vdW ...
Kai Ren   +4 more
doaj   +1 more source

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