Enhanced Photocatalytic Activity of 2H-MoSe<sub>2</sub> by 3d Transition-Metal Doping

Zhao, Y. X.; Tu, Jian; Sun, Yipeng; Hu, Xiaoying; Ning, Jiai; Wang, Wei; Wang, Frank; Xu, Yongbing; He, Liang

doi:10.1021/acs.jpcc.8b09361

Cited by 33 publications

(16 citation statements)

References 37 publications

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“…Ab initio density-functional theory (DFT) simulations by Zhang et al. and Luo et al have shown that it is energetically favorable for Al to occupy a Mo site. , On the other hand, extrapolating the DFT simulations by Zhao et al for Sc through Zn doping of the related MoSe 2 would suggest that Al could occupy an interstitial site . It is not straightforward to determine the doping efficiency as it is not yet known how Al dopes with MoS 2 combined with the fact that Al can assume different dopant multiplicities (from Al 1+ up to the Al 3+ state). ,− However, the simplest scenario of Al acting as a 1-fold acceptor seems unlikely based on a carrier density of 10 21 cm –3 and an Al density of 5 × 10 20 cm –3 (estimated using the known Mo density of MoS 2 and the atomic percentage of Al, as measured by XPS).…”

Section: Results and Discussionmentioning

confidence: 99%

Atomic Layer Deposition of Al-Doped MoS₂: Synthesizing a p-type 2D Semiconductor with Tunable Carrier Density

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et al. 2020

ACS Appl. Nano Mater.

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Extrinsically doped two-dimensional (2D) semiconductors are essential for the fabrication of high-performance nanoelectronics among many other applications. Herein, we present a facile synthesis method for Al-doped MoS 2 via plasma-enhanced atomic layer deposition (ALD), resulting in a particularly sought-after p -type 2D material. Precise and accurate control over the carrier concentration was achieved over a wide range (10 17 up to 10 21 cm –3 ) while retaining good crystallinity, mobility, and stoichiometry. This ALD-based approach also affords excellent control over the doping profile, as demonstrated by a combined transmission electron microscopy and energy-dispersive X-ray spectroscopy study. Sharp transitions in the Al concentration were realized and both doped and undoped materials had the characteristic 2D-layered nature. The fine control over the doping concentration, combined with the conformality and uniformity, and subnanometer thickness control inherent to ALD should ensure compatibility with large-scale fabrication. This makes Al:MoS 2 ALD of interest not only for nanoelectronics but also for photovoltaics and transition-metal dichalcogenide-based catalysts.

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Section: Results and Discussionmentioning

confidence: 99%

Atomic Layer Deposition of Al-Doped MoS₂: Synthesizing a p-type 2D Semiconductor with Tunable Carrier Density

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Kessels

et al. 2020

ACS Appl. Nano Mater.

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“…Transition metal dichalcogenides (TMDs), such as MoSe 2 and WSe 2 , are promising candidates in novel high-performance nanoelectronic and optoelectronic devices due to their alluring properties. − In general, intrinsic defects and unintentional impurities during the growth of the materials are unavoidable, and they dramatically affect the physical and chemical properties of the materials. − On the other hand, the functionality of semiconductors depends essentially on whether enough free carriers can be introduced by doping. ,− Therefore, the prerequisite for designing and optimizing high-performance devices is to have deep understanding of the properties of defects in materials.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Study of the Origin of the Distinct Conductivity Type of Monolayer MoSe₂ and WSe₂

et al. 2022

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Monolayer (ML) MoSe2 and WSe2 are promising materials for novel two-dimensional high-performance electronic and optoelectronic devices. Although ML MoSe2 and WSe2 possess the same crystal structure and similar chemical composition and band gap, they are experimentally observed to have distinct carrier types in conduction, i.e., ML MoSe2 is usually a n-type and ML WSe2 usually a p-type semiconductor. The reasons for such distinction are not fully understood so far. In this paper, by first-principles systematic investigation of the properties of intrinsic point defects and some inevitable unintentional extrinsic impurities under normal growth environments for ML MoSe2 and WSe2, we find that intrinsic defects are neither efficient p-type nor n-type dopants in these materials. Instead, hydrogen interstitial (H i inside ) is a shallow donor in both ML MoSe2 and WSe2, while nitrogen-substituting host selenium (N Se ) is a relatively shallow acceptor in both ML MoSe2 and WSe2. However, in the presence of both H and N doping, the compensation between the two type dopants pinned the Fermi energy close to the conduction band edge for ML MoSe2 and close to the valence band edge for ML WSe2. Our study, therefore, provides insights into the origin of the distinct types of conduction of ML MoSe2 and WSe2 and provides guidelines on how to dope transition metal dichalcogenides.

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“…Chemie semiconducting 2D TMDs could bring various attractive advantages for photocatalytic application. [129][130][131][132][133] Theoretical calculation shows that the generated defect levels caused by the introduction of heteroatoms can adjust the band gaps of 2D TMDs, thereby tuning their redox ability. [129,130] Subsequent experimental studies confirmed this.…”

Section: Methodsmentioning

confidence: 99%

2D Transition Metal Dichalcogenides for Photocatalysis

et al. 2023

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Two‐dimensional (2D) transition metal dichalcogenides (TMDs), a rising star in the post‐graphene era, are fundamentally and technologically intriguing for photocatalysis. Their extraordinary electronic, optical, and chemical properties endow them as promising materials for effectively harvesting light and catalyzing the redox reaction in photocatalysis. Here, we present a tutorial‐style review of the field of 2D TMDs for photocatalysis to educate researchers (especially the new‐comers), which begins with a brief introduction of the fundamentals of 2D TMDs and photocatalysis along with the synthesis of this type of material, then look deeply into the merits of 2D TMDs as co‐catalysts and active photocatalysts, followed by an overview of the challenges and corresponding strategies of 2D TMDs for photocatalysis, and finally look ahead this topic.

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Enhanced Photocatalytic Activity of 2H-MoSe₂ by 3d Transition-Metal Doping

Cited by 33 publications

References 37 publications

Atomic Layer Deposition of Al-Doped MoS₂: Synthesizing a p-type 2D Semiconductor with Tunable Carrier Density

Atomic Layer Deposition of Al-Doped MoS₂: Synthesizing a p-type 2D Semiconductor with Tunable Carrier Density

First-Principles Study of the Origin of the Distinct Conductivity Type of Monolayer MoSe₂ and WSe₂

2D Transition Metal Dichalcogenides for Photocatalysis

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Enhanced Photocatalytic Activity of 2H-MoSe2 by 3d Transition-Metal Doping

Cited by 33 publications

References 37 publications

Atomic Layer Deposition of Al-Doped MoS2: Synthesizing a p-type 2D Semiconductor with Tunable Carrier Density

Atomic Layer Deposition of Al-Doped MoS2: Synthesizing a p-type 2D Semiconductor with Tunable Carrier Density

First-Principles Study of the Origin of the Distinct Conductivity Type of Monolayer MoSe2 and WSe2

2D Transition Metal Dichalcogenides for Photocatalysis

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Enhanced Photocatalytic Activity of 2H-MoSe₂ by 3d Transition-Metal Doping

Atomic Layer Deposition of Al-Doped MoS₂: Synthesizing a p-type 2D Semiconductor with Tunable Carrier Density

Atomic Layer Deposition of Al-Doped MoS₂: Synthesizing a p-type 2D Semiconductor with Tunable Carrier Density

First-Principles Study of the Origin of the Distinct Conductivity Type of Monolayer MoSe₂ and WSe₂