Tuning the Electronic and Optical Properties of Sc2CF2 MXene Monolayer Using Biaxial Strain

Mostafaei, Alireza; Faizabadi, Edris; Semiromi, Ebrahim Heydari

doi:10.1007/s11664-020-08162-2

Cited by 17 publications

(8 citation statements)

References 39 publications

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“…In the other hand, the Sc 2 CF 2 monolayer exhibits an indirect band gap of 1.05/1.86 eV obtained by PBE/HSE method. Such a band gap is consistent well with the previous reports51 . The VBM of Sc 2 CF 2 monolayer is located at the Γ point, while the CBM lies at the M point, as illustrated in Fig.1(e).…”

supporting

confidence: 93%

First-principles investigation of a type-II BP/Sc₂CF₂ van der Waals heterostructure for photovoltaic solar cells

et al. 2023

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confidence: 93%

First-principles investigation of a type-II BP/Sc₂CF₂ van der Waals heterostructure for photovoltaic solar cells

et al. 2023

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“…In addition, due to the ceramic nature of MXenes, their strong mechanical properties allow the potential to tune the band gap through applying strain. Strain-induced band modulation, for example, semiconductor-to-metal transition, band gap size control, and indirect-to-direct transition, have been seen in several MXenes in the past few years. ,, Notably, the indirect-to-direct transition via applied strain offers a simple and effective approach to achieve fine-tuning of properties of advanced photonics devices. Meanwhile, Yu et al reported the indirect-to-direct transition in monolayer MXenes, such as Ti 2 CO 2 , Zr 2 CO 2 , and Hf 2 CO 2 , via introducing biaxial strain (Figure c).…”

Section: Intrinsic Photonic Properties Of 2d Materialsmentioning

confidence: 99%

Engineering van der Waals Materials for Advanced Metaphotonics

Lin

Zhang

et al. 2022

Chem. Rev.

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The outstanding chemical and physical properties of 2D materials, together with their atomically thin nature, make them ideal candidates for metaphotonic device integration and construction, which requires deep subwavelength light–matter interaction to achieve optical functionalities beyond conventional optical phenomena observed in naturally available materials. In addition to their intrinsic properties, the possibility to further manipulate the properties of 2D materials via chemical or physical engineering dramatically enhances their capability, evoking new science on light–matter interaction, leading to leaped performance of existing functional devices and giving birth to new metaphotonic devices that were unattainable previously. Comprehensive understanding of the intrinsic properties of 2D materials, approaches and capabilities for chemical and physical engineering methods, the resulting property modifications and novel functionalities, and applications of metaphotonic devices are provided in this review. Through reviewing the detailed progress in each aspect and the state-of-the-art achievement, insightful analyses of the outstanding challenges and future directions are elucidated in this cross-disciplinary comprehensive review with the aim to provide an overall development picture in the field of 2D material metaphotonics and promote rapid progress in this fast emerging and prosperous field.

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“…The lattice constants and the thickness parameter Δ are summarized in Table 1. 14,32,33 The electronic properties of 2D MXene monolayers including the band structures and the projected density of states (PDOS) are demonstrated in Fig. 2.…”

Section: A Density Functional Theory Calculationsmentioning

confidence: 99%

A tight-binding model for the electronic structure of MXene monolayers

Mostafaei

Semiromi

2022

Nanoscale

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Tuning the Electronic and Optical Properties of Sc2CF2 MXene Monolayer Using Biaxial Strain

Cited by 17 publications

References 39 publications

First-principles investigation of a type-II BP/Sc₂CF₂ van der Waals heterostructure for photovoltaic solar cells

First-principles investigation of a type-II BP/Sc₂CF₂ van der Waals heterostructure for photovoltaic solar cells

Engineering van der Waals Materials for Advanced Metaphotonics

A tight-binding model for the electronic structure of MXene monolayers

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Tuning the Electronic and Optical Properties of Sc2CF2 MXene Monolayer Using Biaxial Strain

Cited by 17 publications

References 39 publications

First-principles investigation of a type-II BP/Sc2CF2 van der Waals heterostructure for photovoltaic solar cells

First-principles investigation of a type-II BP/Sc2CF2 van der Waals heterostructure for photovoltaic solar cells

Engineering van der Waals Materials for Advanced Metaphotonics

A tight-binding model for the electronic structure of MXene monolayers

Contact Info

Product

Resources

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First-principles investigation of a type-II BP/Sc₂CF₂ van der Waals heterostructure for photovoltaic solar cells

First-principles investigation of a type-II BP/Sc₂CF₂ van der Waals heterostructure for photovoltaic solar cells