Van der Waals heterostructures of blue phosphorene and scandium-based MXenes monolayers

doi:10.1063/1.5114850

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	Van der Waals heterostructures of blue phosphorene and scandium-based MXenes monolayers
	G.Rehman; S.A.Khan; R.Ali; I.Ahmad; L.Y.Gan; B.Amin
	2019
发表期刊	Journal of Applied Physics
ISSN	0021-8979
卷号	126 期号:14 页码:10
摘要	Stacked layers in the form of van der Waals (vdW) heterostructures can significantly extend the applications of its building materials. In this study, based on hybrid functional (HSE06) with vdW corrections, we systematically investigated the electronic structure and optical properties of BlueP/Sc2CX2 (X = O, F, OH) vdW heterostructures and their corresponding monolayers. All three heterostructures are indirect bandgap semiconductors with type-II band alignment. The calculated bandgap of BlueP/Sc2CF2 is found to be 1.528 eV. A small amount of charge transfers from BlueP to Sc2CF2 and from Sc2CO2 [Sc2C(OH)(2)] to BlueP, rendering it p- and n-doped, respectively. The formation of heterostructures enhanced the optical absorption in the visible light region as compared to their parent monolayer, particularly in BlueP/Sc2CF2 and BlueP/Sc2C(OH)(2). Heterostructures show excellent device absorption efficiencies (70%-80%) from infrared to ultraviolet spectrum of light. These results suggest that BlueP/Sc2CX2 heterostructures are potential for nanoelectronics, optoelectronics, and photovoltaic device applications. Published under license by AIP Publishing.
关键词	transition-metal carbides,electronic-structures,thermal-conductivity,magnetic-properties,optical-properties,performance,gap,origin,anodes,black,Physics
DOI	10.1063/1.5114850
收录类别	SCI ; EI
语种	英语
引用统计
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/63097
专题	中国科学院长春光学精密机械与物理研究所
推荐引用方式 GB/T 7714	G.Rehman,S.A.Khan,R.Ali,et al. Van der Waals heterostructures of blue phosphorene and scandium-based MXenes monolayers[J]. Journal of Applied Physics,2019,126(14):10.
APA	G.Rehman,S.A.Khan,R.Ali,I.Ahmad,L.Y.Gan,&B.Amin.(2019).Van der Waals heterostructures of blue phosphorene and scandium-based MXenes monolayers.Journal of Applied Physics,126(14),10.
MLA	G.Rehman,et al."Van der Waals heterostructures of blue phosphorene and scandium-based MXenes monolayers".Journal of Applied Physics 126.14(2019):10.

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