Metal free hydrogenation reaction on carbon doped boron nitride fullerene : a DFT study on the kinetic issue
By the incorporation of C into (BN)12 fullerene, our theoretical investigation shows that the hydrogenation reaction on carbon doped B11N12C cluster is both thermodynamically favored and kinetically feasible under ambient conditions. Without using the metal catalyst, the C atom can work as an activa...
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| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2013
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| Online Access: | https://hdl.handle.net/10356/96797 http://hdl.handle.net/10220/11566 |
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| Institution: | Nanyang Technological University |
| Language: | English |