Reduction of N2 to NH3 with Mo complexes. From fundamental PCET reactivity to efficient electrocatalysis – REDNEC

The Haber-Bosch process leads to the synthesis of ca 200 million tons of ammonia per year, mostly used as fertilizer. This process combines N2 and H2 using heterogeneous catalysts under drastic conditions, and it consumes between 1 and 2% of the annual worldwide primary energy produced, leading to massive CO2 emissions. Our objective is to develop efficient and selective homogeneous electrocatalysts capable of transforming N2 in NH3 under mild conditions. Our approach relies on the development of recyclable electrogenerated electron donors and proton sources in electrochemically controlled conditions. Combined experimental and theoretical studies will be carried out to decipher the mechanisms in electrochemical conditions, and optimize “M/RXH” couples able to efficiently transfer successive electrons/protons and drive the synthesis of ammonia at room temperature at an electrode.