Recent progress of top-performing electrocatalytic materials for water oxidation and recent machine learning edge: An overview upto 2024

This comprehensive review explored the breakthrough potential of metal–organic framework (MOFs) and high entropy materials (HEMs) for advancing energy conversion. Solar light utilization for clean energy conversion become the potential strategy to overcome the energy crisis, in recent years. MOFs and HEMs are multifunctional nanostructured materials receiving accelerated attention in energy conversion. MOFs consist of metal ions (M) combined to organic linkers and have nanoscale geometry, tunable cage with porous size, flexible skeletons, ultrahigh surface area, large surface-to-volume ratio, abundant active sites, fast charge transportation and crystallinity which enhanced the water oxidation efficiency. HEMs have multi-component random distribution with disordered structure which extending the catalytic active-sites range and forming stable monophase solid-solution architecture. The unique entropy stabilization effect increased the active sites by preventing HEMs agglomeration which in turn improved the stability. In this review, we summarized MOFs and HEMs based electrocatalytic materials in oxygen evolution reaction (OER) and how morphology regulation and tuning the structure of material enhanced the activity and increased the active sites, respectively. Recently, machine learning (ML) models reveal the role of descriptors influencing the overpotential and exposed the origin of MOFs and HEMs catalytic activity. These ML models reduced the costs and served as a guide for designing efficient catalysts. This review delves a roadmap for the advancement of MOFs and HEMs based electrocatalytic materials, shaping the future of fuel technologies with the cutting edge of ML models.