Vidya Avasare

Computational Insights into Mn and Fe Azoaromatic Pincer Complexes: Modulating Ligands for Enhanced CO2-to-Formic Acid Conversion

Abstract Formic acid, produced by hydrogenation of CO2, is an attractive liquid organic hydrogen carrier. It offers a promising route for sustainable energy storage; however, its practical application remains constrained by the need for strong basic conditions. Here, we used DFT...