Optoelectronic and Excitonic Study of XI <sub>2</sub> (X = Si, Ge, Sn, and Pb) Monolayers Envisaging Potential Technological Applications

This study investigates the structural stability and electronic, mechanical, excitonic, and optical properties of 2D-XI<sub>2</sub> (X = Si, Ge, Sn, Pb) monolayers using both first-principles and semiempirical calculations. Our findings reveal that this group has semiconductor characteristics with band gaps from 2.35 to 3.28 eV at the HSE06 level. The excitonic effects are significant with exciton binding energies between 372 and 422 meV. They present a maximum solar harvesting efficiency, at the Shockley-Queisser limit, considering an electron-hole coupling of 16.37%. These findings indicate that these structures are promising for future optoelectronic applications, showing excellent visible and ultraviolet response and enhancing the photovoltaic cell performance.

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Publication Details

Journal
ACS Omega
Published
2025-11-28
DOI
https://doi.org/10.1021/acsomega.5c08479
Citations
2
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
1.04
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article

Optoelectronic and Excitonic Study of XI 2 (X = Si, Ge, Sn, and Pb) Monolayers Envisaging Potential Technological Applications

Júlio R. Sambrano, Alysson Martins Almeida Silva, K. A. L. Lima, Elie Albert Moujaes et al.
2 citations
ACS Omega
2D Materials and Applications
1.04
article

Optoelectronic and Excitonic Study of XI 2 (X = Si, Ge, Sn, and Pb) Monolayers Envisaging Potential Technological Applications

Júlio R. Sambrano, Alysson Martins Almeida Silva, K. A. L. Lima, Elie Albert Moujaes, Luiz Antônio Ribeiro, José A.S. Laranjeira, Alexandre C. Dias, Bill D. Aparicio-Huacarpuma
article en
2 citations

Abstract

This study investigates the structural stability and electronic, mechanical, excitonic, and optical properties of 2D-XI<sub>2</sub> (X = Si, Ge, Sn, Pb) monolayers using both first-principles and semiempirical calculations. Our findings reveal that this group has semiconductor characteristics with band gaps from 2.35 to 3.28 eV at the HSE06 level. The excitonic effects are significant with exciton binding energies between 372 and 422 meV. They present a maximum solar harvesting efficiency, at the Shockley-Queisser limit, considering an electron-hole coupling of 16.37%. These findings indicate that these structures are promising for future optoelectronic applications, showing excellent visible and ultraviolet response and enhancing the photovoltaic cell performance.

ACS OmegaVol. 10(48)
Universidade Federal da Bahia (BR), Universidade de Brasília (BR), Universidade Estadual de Campinas (UNICAMP) (BR), FZU ‒ Institute of Physics of the Academy of Sciences of the Czech Republic (CZ), Computational Physics (United States) (US), System Simulation (United Kingdom) (GB), University College of Technology (CM), Universidade Estadual Paulista (Unesp) (BR)
Openalex Percentile: Top 21%
2D Materials and Applications
1.04
DOIOpen Access PDFOpenAlex
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Optoelectronic and Excitonic Study of XI <sub>2</sub> (X = Si, Ge, Sn, and Pb) Monolayers Envisaging Potential Technological Applications — Júlio R. Sambrano, Alysson Martins Almeida Silva, et al. · ACS Omega (2025) | TGRS Research Map | TGRS