Visible region absorption in TMDs/phosphorene heterostructures for use in solar energy conversion applications

Maniyar, Ashraf; Choudhary, Sudhanshu

doi:10.1039/d0ra05810f

Cited by 30 publications

(10 citation statements)

References 66 publications

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“…The observation shows that compressive strain improves the absorption in the visible range. The observed behavior is consistent with the other 2D material-based heterostructures [70][71][72].…”

Section: Optical Propertiessupporting

confidence: 90%

Effect of biaxial strain on electronic and optical properties of vertically stacked HfS₂/HfSe₂ heterostructures

Mahajan,

Sharma,

Adhikari

et al. 2024

Phys. Scr.

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The structural, electronic, and optical properties of HfS2/HfSe2 heterostructures (HSs) have been investigated using Density Functional Theory. The HfS2 and HfSe2 monolayers with H and T phases with different stacking configurations were considered for the formation of HSs. HfS2(1T)/HfSe2(2H) is found to be the most stable HS as compared to other phases. All phases of HSs show indirect band-gaps HfS2(1T) (2.07eV), HfSe2(2H) (1.63eV), and HfS2(1T)/HfSe2(2H) (1.44eV) with valence band (VB) of HS dominated by HfS2(1T) and the conduction band (CB) dominated by HfSe2(2H) leading to type-II configuration. The optical properties of HS show absorption peaks in the visible region of 420-430nm with an absorption coefficient of 1.82-1.89X105 cm−1. Further, the stability of the HS increases with tensile strain with an increase in the binding energy up to 7.63% and decreases by 21.37% with compressive strain. Similarly, the band gap increases from 1.44eV to 1.51eV with the tensile strain and decreases to 1.30eV with compressive strain. The tunability of electronic band gap and band alignment of Hf-based HSs by external strain makes them useful for possible use in futuristic optoelectronic devices.

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Section: Optical Propertiessupporting

confidence: 90%

Effect of biaxial strain on electronic and optical properties of vertically stacked HfS₂/HfSe₂ heterostructures

Mahajan,

Sharma,

Adhikari

et al. 2024

Phys. Scr.

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“…When dealing with 2D materials, the consideration of the out-of-plane optical absorption coefficient becomes paramount, especially in the context of applications involving photodetectors where efficient light absorption is crucial. 39 Consequently, our research is strategically centered on a comprehensive examination of the out-of-plane optical absorption, denoted as α z .…”

Section: Resultsmentioning

confidence: 99%

Unraveling the role of varying composition on electronic and optical properties of bilayer MoxW(1−x)S2 for photovoltaic applications

Saha,

Pandey,

Nath

et al. 2024

Physics and Simulation of Optoelectronic Devices XXXII

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Transition metal dichalcogenides are being used extensively due to their 2-D nature, in spintronic and optoelectronic technologies. TMDs, specifically molybdenum disulfide (MoS 2 ) and tungsten disulfide (WS 2 ), have recently attracted considerable interest and extensive research has been dedicated to these materials, unveiling their immense potential for various applications such as catalysts, lubricants, lithium batteries, phototransistors, and nanoelectronics. Mo x W 1−x S 2 alloys have been synthesized via experimental techniques to harness the properties of both materials. Bilayer TMDs exhibit properties such as tunable bandgap, higher exciton binding energy and interlayer interaction giving rise to new optical modes and excitonic resonances. In this work we study the utility of bilayer Mo x W 1−x S 2 alloys through first principle computational techniques. We observe an indirect bandgap of around 1.49-1.55eV as we vary the composition of the alloy from 72% Mo to 22% Mo. This capability is significant as it allows researchers to precisely engineer the electronic and optical properties of the material to suit various device requirements. The out-of-plane absorption coefficient of the alloys shows a peak shift from 1.95eV to 2.55eV on increasing percentage of W in the alloy. This shift in the absorption spectrum indicates that the material can effectively absorb light of different wavelengths, thus enabling the design of TMD-based photodetectors with the capability to detect a broad range of wavelengths. This versatility in light absorption is of great importance for applications such as sensors, photovoltaics, optoelectronic devices, where the detection of specific wavelengths is crucial.

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“…[133] Maintaining the intrinsic properties of phosphorene would facilitate its wide range of applications in semiconductors, and in this way TMDCs/phosphorene heterostructures solar cells are also expected to perform high absorption and high-power conversion efficiency. [134,135] Moreover, vertical electric fields could modulate the bandgap of phosphorene-based heterostructures, making them promising candidates for future nanoelectronic and optoelectronic applications. [136] The vertically stacked 2D phosphorene heterostructures are also expected to yield many benefits.…”

Section: D Heterostructuresmentioning

confidence: 99%

Recent Advances in Phosphorene: Structure, Synthesis, and Properties

Zhang,

Ono

et al. 2023

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Phosphorene is a 2D phosphorus atomic layer arranged in a honeycomb lattice like graphene but with a buckled structure. Since its exfoliation from black phosphorus in 2014, phosphorene has attracted tremendous research interest both in terms of synthesis and fundamental research, as well as in potential applications. Recently, significant attention in phosphorene is motivated not only by research on its fundamental physical properties as a novel 2D semiconductor material, such as tunable bandgap, strong in‐plane anisotropy, and high carrier mobility, but also by the study of its wide range of potential applications, such as electronic, optoelectronic, and spintronic devices, energy conversion and storage devices. However, a lot of avenues remain to be explored including the fundamental properties of phosphorene and its device applications. This review recalls the current state of the art of phosphorene and its derivatives, touching upon topics on structure, synthesis, characterization, properties, stability, and applications. The current needs and future opportunities for phosphorene are also discussed.

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Visible region absorption in TMDs/phosphorene heterostructures for use in solar energy conversion applications

Abstract: Heterostructures of pristine black phosphorene (P) with transition metal dichalcogenide (TMD) monolayers of MoS2, MoSe2, MoTe2, WS2, and WSe2 are investigated using density functional theory based simulations.

Cited by 30 publications

References 66 publications

Effect of biaxial strain on electronic and optical properties of vertically stacked HfS₂/HfSe₂ heterostructures

Effect of biaxial strain on electronic and optical properties of vertically stacked HfS₂/HfSe₂ heterostructures

Unraveling the role of varying composition on electronic and optical properties of bilayer MoxW(1−x)S2 for photovoltaic applications

Recent Advances in Phosphorene: Structure, Synthesis, and Properties

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Visible region absorption in TMDs/phosphorene heterostructures for use in solar energy conversion applications

Abstract: Heterostructures of pristine black phosphorene (P) with transition metal dichalcogenide (TMD) monolayers of MoS2, MoSe2, MoTe2, WS2, and WSe2 are investigated using density functional theory based simulations.

Cited by 30 publications

References 66 publications

Effect of biaxial strain on electronic and optical properties of vertically stacked HfS2/HfSe2 heterostructures

Effect of biaxial strain on electronic and optical properties of vertically stacked HfS2/HfSe2 heterostructures

Unraveling the role of varying composition on electronic and optical properties of bilayer MoxW(1−x)S2 for photovoltaic applications

Recent Advances in Phosphorene: Structure, Synthesis, and Properties

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Effect of biaxial strain on electronic and optical properties of vertically stacked HfS₂/HfSe₂ heterostructures

Effect of biaxial strain on electronic and optical properties of vertically stacked HfS₂/HfSe₂ heterostructures