Supernode IDEA: Understanding OER Across pH Ranges Through Multiscale, Multi-Theory Modeling

Recipient Lawrence Berkeley National Laboratory/LBNL (PI: Adam Weber) and Lawrence Livermore National Laboratory/LLNL (PI: Tadashi Ogitsu)

HydroGEN Node Experts

Lawrence Berkeley National Laboratory/LBNL:

  • Ethan Crumlin
  • Nemanja Danilovic
  • David Prendergast

Lawrence Livermore National Laboratory/LLNL:

  • Tadashi Ogitsu
  • Brandon Wood

National Renewable Energy Laboratory/NREL:

  • Shaun Alia
  • Ross Larsen
  • Mai-Anh Ha

Water Splitting Technology PEC, LTE

Status Awarded

Abstract Utilize validated theory across length scales to understand the mechanism of oxygen evolution reaction (OER) going from acid to neutral to alkaline pH.

There is a lack of understanding of OER mechanism at various pH, especially neutral and alkaline, where the oxygen evolution stems from water or perhaps hydroxide in competition with the acid mechanism. Furthermore, this knowledge is especially lacking in the presence of an ionomer (solid state) and not liquid electrolyte. There is also a need to develop and demonstrate rigorous continuum/DFT/microkinetic multiscale theoretical descriptions of oxygen evolution reaction, including structure and interfaces using model electrodes (Ir, IrO2) across multiple scales.