Boron and Nitrogen Doping in Graphene for the Catalysis of Acetylene Hydrochlorination

Abstract

Exploration of environmentally friendly catalysts is important for acetylene hydrochlorination because the traditional HgCl2 catalyst is highly toxic and harmful to human health. Herein, boron and nitrogen heteroatoms dually doped on oxide graphene (B,N-G) catalyst were synthesized using a model calcination method and applied as a nonmetallic catalyst for acetylene hydrochlorination. The B,N-G catalyst shows acetylene conversion significantly higher (nearly 95%) than that of singly B- or N-doped graphenes and a little lower than that of Au and Hg catalyst. Density functional theory calculations and temperature-programmed desorption results indicate that the synthetic effect of B and N doping can promote HCl adsorption, which is the rate-determining step in acetylene hydrochlorination. The excellent catalytic efficiency and relatively low cost of B,N-G makes it a promising catalyst for acetylene hydrochlorination.