Construction of Cu nanoparticles embedded nitrogen–doped carbon derived from biomass for highly boosting the nitrobenzene reduction: An experimental and theoretical understanding

Abstract The state-of-the-art of the catalysis area prefers the construction of highly efficient, stable and low-cost catalysts based on facile and green synthesis procedures with biomass as the precursor. In this respect, we report the preparation of uniform Cu nanoparticles embedded nitrogen–doped carbon catalyst assisted by the carbonization of cushaw and Cu salt without additional reagents. Among the series of catalysts, the one pyrolized at 800 °C is a promising candidate for the liquid-phase reduction of nitrobenzene (NB) in the presence of NaBH4, showing superior reactivity and robust stability. Both experimental studies and DFT calculations reveal the strong mutual interaction between Cu nanoparticles and neighboring carbon layer accompanied by the interfacial electron transfer and generation of Cu-Nx species. This plays a key role in boosting the adsorption and activation of NB molecules. This study provides new insights for the high-value use of abundant and cheap biomass in advanced catalysis, and sheds light on the interfacial catalysis in driving the NB reduction reaction and beyond.