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• Nitrogen-doped carbon catalysts with a layered structure were synthesized by the dual-template method. • An efficient non-metallic catalyst for the environmentally friendly synthesis of acetylene hydrochlorination. • Catalysts with higher specific surface area and nitrogen content exhibit superior catalytic performance. • The protonated pyridinic nitrogen and pyridinic N + O exhibit moderate adsorption strength towards hydrochloric acid, serving as active sites for the catalyst. Non-metallic catalysts present significant potential for environmentally friendly industrialization of acetylene hydrochlorination. However, the challenge of low activity in non-metallic catalysts hampers their practical application. In this study, we propose the use of a dual-template method to fabricate a layered N-doped carbon catalyst, subsequently applying it to acetylene hydrochlorination reactions. Experimental results indicate that the catalyst exhibits exceptional catalytic performance in acetylene hydrochlorination. Combined with characterization results, the catalyst's performance is positively correlated with its surface area and nitrogen content. Furthermore, DFT calculations suggest that protonated pyridinic nitrogen and pyridinic N + O − have moderate adsorption on HCl, potentially serving as active sites for the catalyst. This study analyzes the impact of various parameters of N-doped carbon catalysts on catalytic performance, providing direction for developing non-metallic catalysts suitable for industrial applications. [Display omitted] [ABSTRACT FROM AUTHOR]

Ru-based catalysts have shown great potential for the environmentally friendly industrialization of acetylene hydrochlorination. However, the high cost and reduction of active sites in Ru catalysts have limited their practical applications. In this study, we propose a strategy to optimize the electronic structure of Ru single-atom catalysts by leveraging the strong coordination ability of ligands with the metal and apply this strategy to acetylene hydrochlorination. The experimental results verify that the performance of the catalyst increases with the increase of the ligand. Characterization results indicate that ligands not only optimize the electronic properties of Ru single atoms by forming a RuCl 2 -N structure, but also enhance the adsorption of reactants on the catalysts. DFT calculations reveal that the ligand-modified Ru species can efficiently adsorb and activate acetylene molecules, while the adjacent excessive ligand can adsorb and dissociate HCl molecules. This ultimately leads to an addition reaction between acetylene and HCl through a hydrogen overflow mechanism. [Display omitted] ● The single-atom catalyst with RuCl 2 -N structure are successfully synthesized. ● Enhances catalyst stability by optimising the electronic structure of Ru single atoms. ● Pre-dissociative activation of HCl facilitates the acetylene hydrochlorination reaction. ● This research provides an insight for the design of non-mercury catalysts for vinyl chloride. [ABSTRACT FROM AUTHOR]

Activated carbon fiber (ACF) carbon materials with different graphitization degrees were prepared by impregnation with iron salt solutions, where the graphitization degree was found to increase with the elevated impregnation concentration. Examining these materials for acetylene hydrochlorination demonstrated that their catalytic performances do not monotonically depend on the graphitization degree. Both density functional theory (DFT) calculations and experimental results revealed that the interface between the graphite layer and the support serves as the catalytic active site, and further clarified that the difference in the degree of exposure of the active interface results in the difference in catalytic activity. [Display omitted] • This synthetic method can avoid the conventional high-temperature roasting. • The degree of graphitization affects the properties of catalysts. • Theoretical calculation reveals the model of the active sites. • The degree of active site exposure has a significant effect on catalytic performances. [ABSTRACT FROM AUTHOR]