C-doped boron nitride nanotubes for the catalysis of acetylene hydrochlorination: A density functional theory study
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DOI: 10.1016/j.mcat.2020.110853
Abstract: Abstract The mechanism of a novel mercury-free catalyst, carbon-doped boron nitride nanotubes (BNNTs), for acetylene hydrochlorination reaction was investigated by density function theory (DFT) calculations. Two types of carbon-doped BNNTs with different diameters, boron substituted… read more here.
Keywords: acetylene hydrochlorination; carbon doped; carbon; reaction ... See more keywords