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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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| Publicado no: | Sci Rep |
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| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4667194/ https://ncbi.nlm.nih.gov/pubmed/26626147 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep17460 |
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