THERMODYNAMICS PERFORMANCE STUDY OF OXYGEN EVOLUTION REACTION ON ACTIVE SITES OF TRANSITION METAL DOPED NI-FE PHOSPHATE AS ELECTROCATALYSTS FOR GREEN HYDROGEN ELECTROLYSIS CELL ANODE APPLICATIONS

• Main Author: Dio Idhola, Rizky
• Format: Theses
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/86800
• Institution: Institut Teknologi Bandung

Electrolytic water splitting to generate hydrogen has been regarded as a promising for addressing issues during energy transition, using electricity from renewable energy sources to produce clean hydrogen. Reactions occurring in electrolysis are hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). OER has important role in water splitting due its sluggish kinetics. Currently, the electrocatalyst materials used are precious metal based material, such as platinum and iridium. Recent studies shown that nickel phospate-based electrocatalysts have potential as efficient OER to replace precious metal-based catalysts. In this research, nickel-iron-phosphate (NiFePO) will be tested as electrocatalyst. Facet 100 which has the lowest surface energy, was doped with Mn, Co, and Cu by replacing one Ni atom at the active site of NiFePO. Subsequently, H2O, OH, O, and OOH were placed on the Ni, Fe and dopant atoms as intermediates in the oxygen evolution reaction. The oxygen evolution reaction simulation used the density functional theory features in the Quantum Espresso software. The results showed that the addition of Co dopants successfully reduced the overpotential of Ni sites on the NiFePO(100) surface significantly (from 0.31 to 0.26 V). The obtained overpotential value is much lower than the commercial catalyst IrO? (0.56 V) Keywords: anode, electrocatalyst, overpotential, water electrolysis