MnO2-Ti3C2Tx MXene nanohybrid: an efficient and durable electrocatalyst toward artificial N2 fixation to NH3 under ambient conditions

Industrial synthesis of NH3 relies mainly on the traditional Haber–Bosch process which is highly energy-intensive with enormous greenhouse gas emission. Electrochemical N2 reduction provides an eco-friendly approach for energy-saving NH3 synthesis, but it requires highly-efficient electrocatalysts under ambient conditions. In this communication, MnO2-decorated Ti3C2Tx (T=F, OH) Mxene nanohybrid (MnO2-Ti3C2Tx) is proposed as a high-active electrocatalyst for the N2 reduction reaction with excellent selectivity and strong durability. A large NH3 yield of 34.12 μg h–1 mgcat.–1 and a high Faradaic efficiency of 11.39% are achieved at –0.55 V vs. reversible hydrogen electrode in 0.1 M HCl. Density functional theory calculations further reveal the possible catalytic mechanism involved.