FURI | Spring 2024

High Throughput Computational Search For Efficient Thermochemical Energy MOx Materials For Hydrogen Production

The DOE’s Hydrogen Shot goal aims to reduce the cost of green hydrogen production to $1/kilogram by 2031. The solar thermochemical hydrogen water splitting (STCH) process is a promising approach because of its high theoretical efficiencies. STCH relies on metal oxide reduction with concentrated solar energy to store chemical energy in material bonds. The energy is recovered through the oxidative process with H2O on the back end, releasing hydrogen gas. This project aims to increase the efficiency of STCH by investigating a multitude of metal oxides via a high throughput process that couples theoretical reduction energies with material thermodynamic properties.