Role of Morphology of Platinum-Based Nanoclusters in ORR/OER Activity for Nonaqueous Li–Air Battery Applications

With potential energy storage and transportation applications, nonaqueous Li–air batteries (laboratories) have received intense interest due to their high theoretical energy density. However, the sluggish kinetics of oxygen reduction/evolution reaction (ORR/OER) limits their practical applications. In this regard, developing an efficient ORR/OER electrocatalyst for LABs is highly important for the scientific community. Herein, we propose the pristine and copper core–shell Pt-based nanoclusters (NCs) as ORR/OER catalysts with different morphologies for the Li–air battery applications. The growth patterns of intermediates formed during the possible nucleation processes have been investigated in detail. Moreover, the effect of different morphologies has also been investigated by carrying out the free energy analysis for ORR/OER. Furthermore, we show that the ORR/OER activity of the catalysts can be attributed to the varied surface distribution of platinum atoms and facets on different shaped/morphology NCs. In addition to the first-ever reporting of Pt NCs as efficient electrocatalysts for Li–air batteries, this study also communicates insight into the ORR/OER activity tunability by regulating the morphology of NCs.