Journal ArticleDOI
Type‐II van der Waals Heterostructures Based on AsP and Transition Metal Dichalcogenides: Great Promise for Applications in Solar Cell
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TLDR
In this article , a stable vdW heterostructures based on arsenic phosphorus (AsP) and transition metal dichalcogenides are designed and the geometry, electronic, and optical properties for type-II AsP/MX2 (Mo, W, X, S, Se) by first-principle calculations are systematically explored and their application in solar cell materials is predicted.Abstract:
As an effective means to adjust the properties of 2D materials, type‐II van der Waals (vdW) heterostructures have been under extensive research due to their significantly reduced carrier recombination probability and extended carrier lifetime. Herein, stable vdW heterostructures based on arsenic phosphorus (AsP) and transition metal dichalcogenides are designed. The geometry, electronic, and optical properties for type‐II AsP/MX2 heterostructures (M = Mo, W; X = S, Se) by first‐principle calculations are systematically explored and their application in solar cell materials is predicted. AsP/MX2 heterostructures are indirect semiconductors with the quasiparticle bandgap ranging from 1.49 to 2.02 eV. They effectively widen the light absorption of AsP monolayers in visible and ultraviolet regions. It is worth noting that AsP/WSe2 heterostructure can form a built‐in electric field (0.832 eV Å−1) and have a minor exciton binding energy (0.22 eV), suggesting that it is a potential solar cell material. The power conversion efficiency is more than 15%. The results will provide a theoretical basis for sustainable energy applications of AsP‐based vdW heterostructures in the future.read more
Citations
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High-efficiency hydrogen evolution reaction photocatalyst for water splitting of Type-II β-AsP/g-C3N4 van der Waals heterostructure
TL;DR: In this paper , a type-II β-AsP/g-C3N4 van der Waals heterostructure was designed as an efficient photocatalyst and had the first principles calculations to analyze its stability, electronic properties, and photocatalytic performance.
Journal ArticleDOI
A promising type-II β-AsP/g-C6N6 van der Waals heterostructure photocatalyst for water splitting: a first-principles study.
TL;DR: In this article , the type-II β-AsP/g-C6N6 van der Waals (vdW) heterostructure was used as a promising photocatalyst for water splitting using first-principles calculations.
Journal ArticleDOI
Recent advances in stable arsenic–phosphorus: preparation, properties, and application
Fangqi Liu,Junfei Xue,Qiang Yu,Bowang Shu,Yan Lu,Yongping Dai,Xiuyang Pang,Haiqin Deng,Xianping Wang,Sicong Zhu,Jian Wu,Tingchao He +11 more
TL;DR: In this article , a review of 2D arsenic-phosphorus (AsP)-based materials and devices is presented, focusing on synthesis details, modulation strategies, and application advances of stable AsP.
Journal ArticleDOI
Recent Advances of Preparation and Application of Two-Dimension van der Waals Heterostructure
TL;DR: Van der Waals heterostructures (vdWHs) as discussed by the authors are two-dimensional (2D) materials formed via van derWaals (vdW) force, paving the way for fabricating, understanding, and applications of 2D materials.
Journal ArticleDOI
Momentum matching and band-alignment type in van der Waals heterostructures: Interfacial effects and materials screening
TL;DR: In this article , the authors proposed a screening method for robust momentum-matching type II van der Waals heterostructures (vdWHs) based on density-functional theory calculations.
References
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