Research Projects

Hydrogen production technologies are undergoing transformative growth, yet mainstream approaches such as alkaline and PEM water electrolysis remain energy-intensive and constrained by the sluggish kinetics of the oxygen evolution reaction (OER). The high anodic overpotential and risk of gas crossover significantly limit the energy efficiency and safety of these systems. In contrast, methanol oxidation reaction (MOR) offers a compelling alternative, with a thermodynamic potential of just 0.016 V compared to 1.23 V for OER, enabling up to 70% lower energy consumption. Methanol’s high energy density, ease of storage, and ability to generate value-added products like formic acid make it a promising feedstock for sustainable hydrogen production coupled with chemical valorization. However, realizing the full potential of MOR-assisted hydrogen generation is currently hindered by the absence of efficient, stable, and scalable bifunctional catalysts. State-of-the-art catalysts rely on scarce and expensive precious metals such as Pt, Ir, and Ru. Meanwhile, earth-abundant transition metals like Ni, Co, Fe, Cu, Mn, and Ag, though promising, lack comprehensive bifunctional performance due to poor surface tunability, suboptimal synthesis routes, or limited theoretical guidance. Two central strategies drive this innovation: (1) Redox-state engineering to fine-tune the oxidation states and surface structures for optimal activity and selectivity, and (2) DFT-guided catalyst design to predict favourable metal combinations, adsorption energetics, and surface behaviours, reducing experimental trial-and-error. Catalysts will be synthesized from metal oxalate precursors using scalable and energy-efficient routes, including galvanic displacement and electrochemical deposition. Novel redox-state modulation techniques, such as Ni²⁺ ion-mediated GDR and solvent-assisted surface reconstruction using deep eutectic solvents, will be employed to enhance porosity, active site accessibility, and catalytic performance. This prototype system will validate low-voltage, stable hydrogen production and the co-generation of value-added chemicals, demonstrating a practical pathway toward decentralized, clean hydrogen energy. Key Scientific Objectives: • Theoretical screening of Ag, Cu, Ni, Co, Fe, Mn-based systems via DFT. • Synthesis of redox-active oxalates and their conversion to bifunctional oxides. • Surface engineering using galvanic displacement and electrochemical redox tuning. • Fabrication of vertically aligned, nanoporous catalyst structures on flexible substrates. • Comprehensive electrochemical evaluation (HER, MOR) and selectivity analysis. • Prototype construction and testing of a methanol-assisted electrolytic cell. Significance to the Field: This project represents a paradigm shift in electrocatalyst development for green hydrogen production. It combines computational modelling, redox-state tuning, scalable synthesis to create cost-effective bifunctional catalysts.