Adsorption of lanthanide double-decker phthalocyanines on single-walled carbon nanotubes: structural changes and electronic properties as studied by density functional theory

CONTEXT: Molecular modeling of carbon nanotubes and lanthanide double-decker phthalocyanines hybrids is challenging due to the presence of 4f-electrons. In this paper, we analyzed the trends in structural changes and electronic properties when a lanthanide (La, Gd, and Lu) bisphthalocyanine molecule...

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Detalles Bibliográficos
Autores principales: Bolívar-Pineda, Lina M., Mendoza-Domínguez, Carlos Uriel, Basiuk, Vladimir A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2023
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10133082/
https://www.ncbi.nlm.nih.gov/pubmed/37099146
http://dx.doi.org/10.1007/s00894-023-05557-w

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10133082/
https://www.ncbi.nlm.nih.gov/pubmed/37099146
http://dx.doi.org/10.1007/s00894-023-05557-w

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