Electronic properties and photoactivity of monolayer MoS<sub>2</sub>/fullerene van der Waals heterostructures

Luo, Cai-Yun; Huang, Wei‐Qing; Xu, Liang; Yang, Yaqian; Li, Xiaofan; Hu, Wangyu; Peng, Ping; Huang, Gui‐Fang

doi:10.1039/c6ra05672e

Cited by 28 publications

(21 citation statements)

References 64 publications

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“…The band gap of the MoS 2 /fullerene vdW heterostructure was smaller than that of monolayer MoS 2 , and thus, the visible‐light absorption and photoinduced electron transfer can be enhanced. Furthermore, the amount of charge transfer at interface induced by vdW interactions was found to be dependent on the size of the fullerene …”

Section: Hybrids Of Fullerene and Transition‐metal Disulfidesmentioning

confidence: 99%

Hybrids of Fullerenes and 2D Nanomaterials

2018

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Fullerene has a definite 0D closed‐cage molecular structure composed of merely sp2‐hybridized carbon atoms, enabling it to serve as an important building block that is useful for constructing supramolecular assemblies and micro/nanofunctional materials. Conversely, graphene has a 2D layered structure, possessing an exceptionally large specific surface area and high carrier mobility. Likewise, other emerging graphene‐analogous 2D nanomaterials, such as graphitic carbon nitride (g‐C3N4), transition‐metal dichalcogenides (TMDs), hexagonal boron nitride (h‐BN), and black phosphorus (BP), show unique electronic, physical, and chemical properties, which, however, exist only in the form of a monolayer and are typically anisotropic, limiting their applications. Upon hybridization with fullerenes, noncovalently or covalently, the physical/chemical properties of 2D nanomaterials can be tailored and, in most cases, improved, significantly extending their functionalities and applications. Here, an exhaustive review of all types of hybrids of fullerenes and 2D nanomaterials, such as graphene, g‐C3N4, TMDs, h‐BN, and BP, including their preparations, structures, properties, and applications, is presented. Finally, the prospects of fullerene‐2D nanomaterial hybrids, especially the opportunity of creating unknown functional materials by means of hybridization, are envisioned.

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Section: Hybrids Of Fullerene and Transition‐metal Disulfidesmentioning

confidence: 99%

Hybrids of Fullerenes and 2D Nanomaterials

2018

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“…Huang and co-workers have employed firstprinciples calculations based on DFT to understand the effects of vdW interactions on the charge transfer, the electronic structure, and photoactivity of MoS 2 /fullerene (C 60 , C 26 , and C 20 ) heterostructures. [133] It was found that the fullerene molecules can act as sensitizers when coupled with the MoS 2 nanostructures, which can improve photocatalytic activity. MoS 2 / fullerene monolayer heterostructures have smaller bandgaps of 1.75, 0.41, and 0.85 eV, compared to the pristine MoS 2 monolayers thus extending their absorption spectrum in the visible region.…”

Section: Metal Chalcogenides-functionalized Fullerenementioning

confidence: 99%

Self‐Assembled Fullerene Nanostructures: Synthesis and Applications

Baskar

Benzigar

Talapaneni

et al. 2021

Adv Funct Materials

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Functionalized fullerene nanostructures are a distinct class of materials that exhibit the combined properties of both fullerene and nanostructures including excellent optoelectronic features, modified band edges, high electron affinity, fast charge transfer capabilities, and tunable structural and textural properties. These fascinating properties allow for their utilization in many applications such as polymer solar cells, photovoltaics, photocatalysis, photodynamic therapy, electrocatalysis, environmental remediation, and drug and gene delivery. Numerous synthesis methods and anchoring groups are employed for functionalized fullerenes with nanostructures by using convergent bottom-up and top-down strategies. The supramolecular self-assembly and functionalization of fullerenes through robust chemistry approaches such as surface oxidation, grafting, polymer coating, doping of metals/nonmetal heteroatoms, noncovalent modification with 2D materials and nanoparticle attachment result in achieving fine control over its surface and bulk properties, including increased solubility, wettability, electron transport, acid-base properties, adsorption, electronic conductivity, and light absorption. This review analyzes the salient developments in the fabrication of nanostructured fullerenes and their functionalized derivatives for many applications including adsorption, catalysis, sensors, energy storage, solar cells, drug delivery, magnetic and superconducting devices. The contents of this review will allow the readers to cherish exciting possibilities and opportunities in field of functionalized nanofullerenes.

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“…Fullerenes are known as single oxygen sensitizers to the electron acceptor–donor and have been used in photocatalysis . In photocatalytic systems, fullerene can create a space potential difference to enrich the separation and migration of the photogenerated charge carriers, as well as tuning the band gap . The amount of charge transfer in WS 2 /fullerenes and MoS 2 /fullerene (C 60 , C 26 , and C 20 ) heterostructures was found to depend on the nature of the fullerene.…”

Section: Recent Progress In the Design Of Semiconductor Photocatalystmentioning

confidence: 99%

“…In photocatalytic systems, fullerene can create a space potential difference to enrich the separation and migration of the photogenerated charge carriers, as well as tuning the band gap . The amount of charge transfer in WS 2 /fullerenes and MoS 2 /fullerene (C 60 , C 26 , and C 20 ) heterostructures was found to depend on the nature of the fullerene. In addition, a type‐II staggered band alignment, which was formed in the MoS2/C20 and WS2/fullerenes heterostructures, contributed to the enriched photocatalytic performance and the reduced charge recombination.…”

Section: Recent Progress In the Design Of Semiconductor Photocatalystmentioning

confidence: 99%

Recent Progress in the Development of Semiconductor‐Based Photocatalyst Materials for Applications in Photocatalytic Water Splitting and Degradation of Pollutants

Opoku

Govender

Sittert

et al. 2017

Advanced Sustainable Systems

169

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Photocatalytic approaches in the visible region show promising potential in photocatalytic water splitting and water treatment to boost water purification efficiency. For this reason, developing cost‐effective and efficient photocatalysts for environmental remediation is a growing need, and semiconductor photocatalysts have now received more interest owing to their excellent activity and stability. Recently, several metal oxides, sulfides, and nitrides‐based semiconductors for water splitting and photodegradation of pollutants have been developed. However, the existing challenges, such as high over potential, wide band gap as well as fast recombination of charge carriers of most of the semiconductors limit their photocatalytic properties. This review summarizes the recent state‐of‐the‐art first‐principles research progress in the design of effective visible‐light‐response semiconductor photocatalysts through several modification processes with a focus on density functional theory (DFT) calculations. Recent developments to the exchange‐correlation effect, such as hybrid functionals, DFT + U as well as methods beyond DFT are also emphasized. Recent discoveries on the origin, fundamentals, and the underlying mechanisms of the interfacial electron transfer, band gap reduction, enhanced optical absorption, and electron–holes separation are presented. Highlights on the challenges and proposed strategies in developing advanced semiconductor photocatalysts for the application in water splitting and degradation of pollutants are proposed.

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Electronic properties and photoactivity of monolayer MoS₂/fullerene van der Waals heterostructures

Abstract: van der Waals (vdW) heterostructures have attracted immense interest recently due to their unusual properties and new phenomena.

Cited by 28 publications

References 64 publications

Hybrids of Fullerenes and 2D Nanomaterials

Hybrids of Fullerenes and 2D Nanomaterials

Self‐Assembled Fullerene Nanostructures: Synthesis and Applications

Recent Progress in the Development of Semiconductor‐Based Photocatalyst Materials for Applications in Photocatalytic Water Splitting and Degradation of Pollutants

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Electronic properties and photoactivity of monolayer MoS2/fullerene van der Waals heterostructures

Abstract: van der Waals (vdW) heterostructures have attracted immense interest recently due to their unusual properties and new phenomena.

Cited by 28 publications

References 64 publications

Hybrids of Fullerenes and 2D Nanomaterials

Hybrids of Fullerenes and 2D Nanomaterials

Self‐Assembled Fullerene Nanostructures: Synthesis and Applications

Recent Progress in the Development of Semiconductor‐Based Photocatalyst Materials for Applications in Photocatalytic Water Splitting and Degradation of Pollutants

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Electronic properties and photoactivity of monolayer MoS₂/fullerene van der Waals heterostructures