C-doped boron nitride fullerene as a novel catalyst for acetylene hydrochlorination: a DFT study
Authors:
- 19 June 2015
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in RSC Advances
- Vol. 5 (69) , 56348-56355
Abstract
Density functional theory calculations were used to investigate the mechanism of acetylene hydrochlorination separately catalyzed by un-doped B12N12 and carbon-doped BN fullerene (B12−nN11+nC (n = 0, 1)).Keywords
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