Effect of halogen substitution on the electronic and optical behavior of C₁₆H₁₀X₂O₂(X = F, cl, Br and I) organic semiconductors

Effect of halogen substitution on the electronic and optical behavior of C₁₆H₁₀X₂O₂(X = F, cl, Br and I) organic semiconductors

Abstract In this study, a comprehensive analysis of the structural, electronic, and optical properties of C₁₆H₁₀X₂O₂ compounds (where X = F, Cl, Br, I) was conducted using first-principles calculations based on Density Functional Theory (DFT). The results demonstrate that the substitution of differe...

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Bibliographic Details
Main Authors: F. Benlakhdar, M. A. Ghebouli, M. Fatmi, B. Ghebouli, S. Alomairy, Faisal Katib Alanazi, A. Djemli, Talal M. Althagafi
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Halogenated organic semiconductors
Refractive index
Loss function
Structure-property relationships
C₁₆H₁₀X₂O₂
PDOS
Online Access:https://doi.org/10.1038/s41598-025-11846-6
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https://doi.org/10.1038/s41598-025-11846-6

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