One-dimensional biomass-based carbon nanotubes loaded with MoS2 as catalysts for the electrocatalytic nitrogen reduction reaction

Abstract

In recent years, electrochemical conversion of nitrogen to ammonia at low temperature and atmospheric pressure has become a hot research topic because of its advantages of low carbon emission, low energy consumption and high energy transfer rate. The development of catalysts with high catalytic activity and flexibility are an important topic in the current nitrogen reduction reaction. In this paper, CNT@MoS2 composite catalysts were prepared by catalytic pyrolysis of biomass to prepare one-dimensional carbon nanotubes and then combined with MoS2 by a hydro thermal method. It was found that 120 CNT@MoS2 had better NRR activity and selectivity, NH3 yield rate of 21.2 μg h−1 mg−1 was achieved at −0.44 V vs. The Faraday efficiency can reach 5.4%. The catalytic performance is more than 3 times higher than CNT. The mechanism of MoS2-catalyzed NRR was further investigated by DFT theoretical calculations. The results of the theoretical calculations are in good agreement with the experimental results, providing a reasonable explanation for the high reduction performance of the catalyst. This study offered a promising avenue for exploring and rationalizing the design of electrocatalytic materials for NRR.