Interface Engineering of Carbon-Supported MoS2 Nanosheets for Chemoselective Hydrogenation of p -Chloronitrobenzene

Abstract In this study, a MoS2@OC composite with highly dispersed MoS2 nanosheets anchored onto an oxidized carbon (OC) substrate was synthesized through a simple hydrothermal– calcination method. The presence of the carbon substrate effectively inhibits the stacking of MoS2 nanosheets, thereby significantly improving the utilization efficiency of sulfur-vacancy active sites within the structure. In the chemoselective hydrogenation of p-chloronitrobenzene (p-CNB), MoS2@OC achieved 100% conversion with 100% selectivity toward p-chloroaniline (p-CAN) and exhibited excellent stability over five consecutive catalytic cycles. The turnover frequency (TOF) of MoS2@OC for p-CNB hydrogenation reached 15.2 h–1, which is 2.4 times higher than that of MoS2 (6.44 h–1). Hydrogen temperature-programmed reduction (H2-TPR) measurements and density functional theory (DFT) calculations reveal that the interfacial effect at the MoS2@OC interface enhances H2 activation at low temperatures and lowers the hydrogenation energy barrier. In situ Fourier transmission infrared spectroscopy (in situ FTIR) manifests that the adsorption and activation of p-CNB on MoS2@OC are enhanced through interfacial electron regulation. This work provides a promising strategy for the rational design of high-performance MoS2-based catalysts through nanostructure regulation and interfacial engineering.