Low-cost high-entropy alloy nanocrystal catalysts for energy-efficient water electrolysis
Abstract
Principal Investigator: Xingchen Ye, Indiana University BloomingtonCo-Principal Investigator: Hongliang Xin, Virginia TechThe objective of this research is to develop high entropy alloy (HEA) nanocrystals as low-cost electrocatalysts with high activity and durability for the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) over a range of pH conditions in non-ideal solutions such as brine and seawater. HEAs are commonly defined as single#phase materials consisting of five or more elements in similar atomic ratios. They are predicted to have high durability in corrosive water electrolysis environments and resistance to coarsening because of the low atomic diffusivity originating from their high entropy of mixing. Moreover, the surface complexity of HEAs provides a near#continuum distribution of adsorption energies and diverse binding configurations for activity enhancement. We hypothesize that within the vast compositional space of HEAs, there exist combinations of elements that exceed conventional platinum- and iridium-based catalysts but be comprised largely of earth#abundant elements for the HER and OER processes. High throughput density functional theory calculations and machine learning will be used to identify these compositions while simultaneously achieving enhanced durability. These compositions will be synthesized and evaluated in half#cell configurations. Those nanocrystal catalysts that display promising activity and durability then will be integrated into membrane electrode assemblies for full water electrolysis cell characterization and testing. Ultimately, the project impact will be HEA nanocrystal catalysts including metals and metal oxides to facilitate the development of simple, modular, scalable, and field-deployable water electrolyzers for energy and material production near the point of use for the Navy.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Oct 13, 2023
- Source ID
- N000142312891
Entities
People
- Xingchen Ye
Organizations
- Indiana University
- Office of Naval Research
- United States Navy