Designing Multi-Metallic Compound Electrocatalysts for Chemicals Production

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This project aims to design highly active, specifically selective, satisfactorily stable catalysts based on advanced ionic compound materials for carbon dioxide (CO2) electroreduction. Innovations are expected in the multi-metallic composition to ensure catalytic performance while maintain stability under electrochemical conditions. With assistance of artificial-intelligence approaches, numerous atomic-scale modelling, speed-up theoretical simulation and rational screening can be achieved. Expected outcomes include providing guidance in elemental composition ratio and suitable reaction conditions for experiments. Benefits include reduced CO2 to fight climate change and increased green-fuel production for sustainable growth of Australia.