Promising TMDC-like optical and excitonic properties of the TiBr<sub>2</sub> 2H monolayer

Batista, André L. de O.; Palheta, João Marcos T.; Piotrowski, Maurício J.; Rêgo, Celso R. C.; Guedes-Sobrinho, Diego; Dias, Alexandre C.

doi:10.1039/d3dt03133k

Dalton Trans.

2024

DOI: 10.1039/d3dt03133k

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Promising TMDC-like optical and excitonic properties of the TiBr₂ 2H monolayer

André L. de O. Batista,

João Marcos T. Palheta,

Maurício J. Piotrowski

et al.

Abstract: Our simulation protocol allows exploring promising 2D materials for optoelectronic applications, like the TiBr2 2H monolayer, demonstrating TMDC-like optical and excitonic properties.

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Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide

da Silva Barboza,

Cruz,

Ferreira

et al. 2024

ACS Omega

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Using first-principles calculations, density functional theory, and the tight-binding method, we investigate the optoelectronic properties of two-dimensional gallium phosphide (2D GaP). Our investigation covers electronic properties, such as band structure and electronic band gap, and optical properties, including absorption spectra, refractive index, and reflectivity, considering excitonic effects. Additionally, structural aspects such as stability, elastic properties, and Raman and infrared spectra are also analyzed. This comprehensive study brings up valuable insights into 2D GaP physics, evincing the key features that make it a potential material for optoelectronic applications, such as photodetectors and solar cells.

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Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide

da Silva Barboza,

Cruz,

Ferreira

et al. 2024

ACS Omega

View full text Add to dashboard Cite

show abstract

Progress in phenanthroline-derived extractants for trivalent actinides and lanthanides separation: where to next?

Yang,

Xu,

Fang

et al. 2024

Chem. Commun.

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Promising TMDC-like optical and excitonic properties of the TiBr₂ 2H monolayer

Abstract: Our simulation protocol allows exploring promising 2D materials for optoelectronic applications, like the TiBr2 2H monolayer, demonstrating TMDC-like optical and excitonic properties.

Cited by 2 publications

References 54 publications

Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide

Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide

Progress in phenanthroline-derived extractants for trivalent actinides and lanthanides separation: where to next?

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Promising TMDC-like optical and excitonic properties of the TiBr2 2H monolayer

Abstract: Our simulation protocol allows exploring promising 2D materials for optoelectronic applications, like the TiBr2 2H monolayer, demonstrating TMDC-like optical and excitonic properties.

Cited by 2 publications

References 54 publications

Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide

Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide

Progress in phenanthroline-derived extractants for trivalent actinides and lanthanides separation: where to next?

Contact Info

Product

Resources

About

Promising TMDC-like optical and excitonic properties of the TiBr₂ 2H monolayer