p-block main-group metal-based two-dimensional metal-organic frameworks as efficient electrocatalysts for oxygen reduction reaction

Abstract

Developing efficient and cost-effective electrocatalysts for sluggish oxygen reduction reaction (ORR) is vital for renewable energy technologies. Herein, we designed p-block main-group metals based 2D MOFs by using DFT calculations. The results show that SbN2O2-HADQ is the most promising catalyst with a calculated overpotential value of 0.45 V, confirmed by kinetic simulations.