Electronic Structure of Pentagonal Carbon Nanocones: An ab Initio Study

[Image: see text] In this work, we investigate the electronic structure of a particular class of carbon nanocones having a pentagonal tip and C(5v) symmetry. The ground-state nature of the wave function for these structures can be predicted by the recently proposed generalized Hückel rule that exten...

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Detalles Bibliográficos
Autores principales: Mattoso, Samuel Henrique, Brumas, Véronique, Evangelisti, Stefano, Fronzoni, Giovanna, Leininger, Thierry, Stener, Mauro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10683015/
https://www.ncbi.nlm.nih.gov/pubmed/37939011
http://dx.doi.org/10.1021/acs.jpca.3c05062

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10683015/
https://www.ncbi.nlm.nih.gov/pubmed/37939011
http://dx.doi.org/10.1021/acs.jpca.3c05062

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