Enhanced photoactivity and anti-photocorrosion of Z-scheme Zr2CO2/WSe2 heterostructure for overall water splitting

Zhang, Rui; Zhuang, Fangfang; Zhou, Rui; Ma, Jusha; Li, Hongbo; Wang, Kai; Yao, Xiaojun; Hao, Guoqiang

doi:10.1016/j.jpcs.2022.111014

Cited by 16 publications

(8 citation statements)

References 63 publications

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“…In this part, the emphasis will be on the microscopic steps 2-4, where chemical reactivity is involved. All three steps can be simulated in the frame of heterogeneous catalysis, but their simulation suffers from issues relative to reagent/product configuration, surface hydration state, modeling of the solvent and dynamical evolution of the system, that could be more deeply simulated in current 2D/2D heterostructure works [274][275][276][277][278][279][280][281][282][283], as shown in figure 12 left panel. These caveats are mostly encountered in heterogeneous catalysis systems' simulation.…”

Section: Computational Mechanistic Studiesmentioning

confidence: 99%

Activating two-dimensional semiconductors for photocatalysis: a cross-dimensional strategy

Botella,

Cao,

Celis

et al. 2024

J. Phys.: Condens. Matter

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The emerging 2D semiconductors substantially extend materials bases for versatile applications such as semiconductor photocatalysis demanding semiconductive matrices and large surface areas. The dimensionality, while endowing 2D semiconductors the unique properties to host photocatalytic functionality of pollutant removal and hydrogen evolution, hurdles the activation paths to form heterogenous photocatalysts where the photochemical processes are normally superior over these on the mono-compositional counterparts. In this perspective, we present a cross-dimensional strategy to employ the nD (n=0-2) clusters or nanomaterials as activation partners to boost the photocatalytic activities of the 2D semiconductors. The formation principles of heterogenous photocatalysts are illustrated specifically for the 2D matrices, followed by selection criteria of them among the vast 2D database. The computer investigations are illustrated in the density functional theory route and machine learning benefitted from the vast samples in the 2D library. Synthetic realizations and characterizations of the 2D heterogenous systems are introduced with an emphasis on chemical methods and advanced techniques to understand materials and mechanistic studies. The perspective outlooks cross-dimensional activation strategies of the 2D materials for other applications such as CO2 removal, and materials matrices in other dimensions which may inspire incoming research within these fields.

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Section: Computational Mechanistic Studiesmentioning

confidence: 99%

Activating two-dimensional semiconductors for photocatalysis: a cross-dimensional strategy

Botella,

Cao,

Celis

et al. 2024

J. Phys.: Condens. Matter

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show abstract

“…[250][251][252] Although obtaining semiconducting MXene is still challenging, various computational studies have predicted the possibility of tuning the resulting excitonic properties of the corresponding MXene-based 2D/2D heterostructure. [247,249,[253][254][255] In this context, it is important to stress that a profound understanding of the excitonic properties is vital regarding the fundamental physics and development of optoelectronic devices, such as photovoltaics, solar cells, and photodetectors.…”

Section: Optical Propertiesmentioning

confidence: 99%

“…Similar trends regarding the modulation of the excitonic binding energy have also been observed in other semiconducting MXenes, such as Hf 2 CO 2 , [249] Ti 2 CO 2 , [257] and Zr 2 CO 2 . [247,257] Apart from excitonic properties, vdW heterostructures help to tune other optical parameters, such as the dielectric screening as well as the mobility of electrons and holes. However, it is important to note that most of these exciting results still stem from computational modeling without any backup from experimental studies.…”

Section: Optical Propertiesmentioning

confidence: 99%

Section: Van Der Waals Heterostructuresmentioning

confidence: 99%

“…Several reports predicted that semiconducting MXenes could form type-II and type-Z junctions when coupled with TMDs, g-C 3 N 4 , and BP. [247][248][249] In particular, the band alignment stimulates charge transfer at the 2D/2D interface. In typical vdW heterostructures such as MoSe 2 /WS 2 , it has been experimentally confirmed that the charge transfer forms an interlayer or charge-transfer exciton, which is expected to have a prolonged lifetime.…”

Section: Optical Propertiesmentioning

confidence: 99%

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Optically Active MXenes in Van der Waals Heterostructures

Purbayanto,

Chandel,

Birowska

et al. 2023

Advanced Materials

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The vertical integration of distinct 2D materials in van der Waals (vdW) heterostructures provides the opportunity for interface engineering and modulation of electronic as well as optical properties. However, scarce experimental studies reveal many challenges for vdW heterostructures, hampering the fine‐tuning of their electronic and optical functionalities. Optically active MXenes, the most recent member of the 2D family, with excellent hydrophilicity, rich surface chemistry, and intriguing optical properties, are a novel 2D platform for optoelectronics applications. Coupling MXenes with various 2D materials into vdW heterostructures can open new avenues for the exploration of physical phenomena of novel quantum‐confined nanostructures and devices. Therefore, the fundamental basis and recent findings in vertical vdW heterostructures composed of MXenes as a primary component and other 2D materials as secondary components are examined. Their robust designs and synthesis approaches that can push the boundaries of light‐harvesting, transition, and utilization are discussed, since MXenes provide a unique playground for pursuing an extraordinary optical response or unusual light conversion features/functionalities. The recent findings are finally summarized, and a perspective for the future development of next‐generation vdW multifunctional materials enriched by MXenes is provided.

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Improvement in Sunlight-Irradiated Photocatalytic Activity and Stability of Ca10(PO4)6(OH)2/g-C3N4 for Dye Mixture Degradation

Castro,

Galvão,

Morais

et al. 2023

Water Air Soil Pollut

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Enhanced photoactivity and anti-photocorrosion of Z-scheme Zr2CO2/WSe2 heterostructure for overall water splitting

Cited by 16 publications

References 63 publications

Activating two-dimensional semiconductors for photocatalysis: a cross-dimensional strategy

Activating two-dimensional semiconductors for photocatalysis: a cross-dimensional strategy

Optically Active MXenes in Van der Waals Heterostructures

Improvement in Sunlight-Irradiated Photocatalytic Activity and Stability of Ca10(PO4)6(OH)2/g-C3N4 for Dye Mixture Degradation

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