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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Xehetasun bibliografikoak
Argitaratua izan da:Sci Rep
Egile Nagusiak: Sinthika, S., Kumar, E. Mathan, Surya, V. J., Kawazoe, Y., Park, Noejung, Iyakutti, K., Thapa, Ranjit
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: Nature Publishing Group 2015
Gaiak:
Article
Sarrera elektronikoa: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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