Activation of CO and CO(2) on homonuclear boron bonds of fullerene-like BN cages: first principles study

Using density functional theory we investigate the electronic and atomic structure of fullerene-like boron nitride cage structures. The pentagonal ring leads to the formation of homonuclear bonds. The homonuclear bonds are also found in other BN structures having pentagon line defect. The calculated...

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Detalles Bibliográficos
Autores principales: Sinthika, S., Kumar, E. Mathan, Surya, V. J., Kawazoe, Y., Park, Noejung, Iyakutti, K., Thapa, Ranjit
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4667194/
https://www.ncbi.nlm.nih.gov/pubmed/26626147
http://dx.doi.org/10.1038/srep17460

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4667194/
https://www.ncbi.nlm.nih.gov/pubmed/26626147
http://dx.doi.org/10.1038/srep17460

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