Investigating the potential of organic semiconductor materials by DFT and TD-DFT calculations on aNDTs

The effects of substituting electron withdrawing and electron donating functional groups on the electronic and optical properties of angular naphthodithiophene (aNDT) were studied. Substitutions were made to the aNDT molecule at position 2 and 7, respectively. The computed ionization parameters and...

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Detalles Bibliográficos
Autores principales: Jothi, B., Stephen, A. David, Selvaraju, K., Al-Sehemi, Abdullah G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10241866/
https://www.ncbi.nlm.nih.gov/pubmed/37287618
http://dx.doi.org/10.1016/j.heliyon.2023.e16740

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10241866/
https://www.ncbi.nlm.nih.gov/pubmed/37287618
http://dx.doi.org/10.1016/j.heliyon.2023.e16740

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