Theoretical investigation of novel p-block metal-based electrocatalysts for nitrogen reduction reaction

The electrochemical nitrogen reduction reaction (NRR) is regarded as the most promising alternative to the traditional Haber-Bosch route in current context of developing sustainable and green technologies. However, challenges around low kinetics and low selectivity of NRR are significant barriers for this enticing goal. Different from the transition metal-based NRR catalysts that are prevalent in artificial nitrogen fixation, here, novel p-block...