Research Projects

Project Summary Ammonia is emerging as a promising hydrogen carrier owing to its high hydrogen content, ease of liquefaction, and established transport infrastructure. The electrochemical decomposition of ammonia under alkaline conditions provides a sustainable and decentralized route to green hydrogen production. However, the lack of active, stable, and cost-effective electrocatalysts limits practical deployment. This proposal aims to develop High-Entropy Prussian Blue Analogues (HE-PBAs) as next-generation electrocatalysts for ammonia electrolysis, addressing critical challenges in catalyst design and the hydrogen economy. Rationale: Conventional catalysts rely heavily on noble metals, which are expensive and scarce. PBAs, a class of open-framework cyanometallates, offer tunable redox properties and structural flexibility. Introducing high-entropy design—where five or more metals co-exist in a single lattice—provides synergistic interactions, increased configurational entropy, and enhanced electronic tunability. This strategy is expected to stabilize active sites and improve adsorption/desorption of ammonia-derived intermediates. Scientific Objectives: 1. Synthesize multi-metal HE-PBAs with controlled stoichiometry and crystallinity. 2. Characterize structural, morphological, and surface properties using advanced techniques. 3. Evaluate electrocatalytic activity and durability for ammonia oxidation and hydrogen evolution. 4. Elucidate the mechanism using in-situ spectroscopy and DFT-based modeling. Hypothesis to be Tested: We hypothesize that HE-PBAs, due to multi-metal synergy and entropy stabilization, will enhance catalytic performance by optimizing the adsorption energetics and reaction pathways of ammonia decomposition. DFT simulations will be used to validate electronic descriptors and reaction energetics. Main Experiments: • Co-precipitation synthesis of HE-PBAs using transition metals (e.g., Co, Ni, Cu, Fe, Mn, Mo). • Characterization: XRD, TEM, BET, XPS, ICP-OES, UV-Vis, and Raman. • Electrochemical studies in 1 M KOH + 0.1 M NH₄OH using LSV, EIS, CA. • In-situ spectroscopic analysis and DFT calculations to probe active sites and reaction intermediates. Significance: The project will advance fundamental understanding of high-entropy electrocatalysis and contribute to low-cost, scalable green hydrogen production from ammonia. It aligns with India’s National Green Hydrogen Mission and may enable technology transfer for sustainable energy applications.