AI-Driven Electrocatalyst Discovery: Integrating Machine Learning, Density Functional Theory, and High-Throughput Screening for Sustainable Energy Conversion
Efficient electrochemical processes are essential for a sustainable, low-carbon energy economy, involving hydrogen production, oxygen evolution/reduction, and carbon dioxide valorisation, all of which require high-performing electrocatalysts. Traditional catalyst development methods, which involve sequential trial-and-...
F. Onyiriuka, Obojobo Donatus Obukeajeta, M. Oladosu et al.
· International journal of sof... · 0 citations