Effect of Chemical Order in the Structural Stability and Physicochemical Properties of B(12)N(12) Fullerenes

The effect of chemical order in the structural and physicochemical properties of B(12)N(12) [4,6]-fullerene (BNF) isomers was evaluated using density functional theory and molecular dynamic calculations. The feasibility to find stable BNF isomers with atomic arrangement other than the well-known oct...

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Detalles Bibliográficos
Autores principales: Escobedo-Morales, Alejandro, Tepech-Carrillo, Lorenzo, Bautista-Hernández, Alejandro, Camacho-García, José Humberto, Cortes-Arriagada, Diego, Chigo-Anota, Ernesto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6848210/
https://www.ncbi.nlm.nih.gov/pubmed/31712591
http://dx.doi.org/10.1038/s41598-019-52981-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6848210/
https://www.ncbi.nlm.nih.gov/pubmed/31712591
http://dx.doi.org/10.1038/s41598-019-52981-1

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