High-throughput computational search for new inorganic proton conductors
Abstract
The increasing costs of fuel consumption at forward operating bases can be offset by the use of alternative energy sources such as solar and wind energy. The energy generated by these sources can be stored by synthesizing fuels such as hydrogen or ammonia on site, providing a potentially unlimited source og fuel at a forward operating base with no need for fuel supply lines. These fuels can then be consumed silently and efficiently in a fuel cell. The viability of this approach depends on the development of efficient and cost-effective ways to synthesize and consume these fuels. The efficiency of electrolyzers (for fuel synthesis) nd fuel cells (for fuel consumption) could be increased by the discovery of new proton-conducting inorganic materials. However the proton mobility in most materials remains unknown. In the proposed research. high-throughout computing will be used to screen tens of thousands of candidate materials to identify those most likely to have high-level screen done using a bond valence-based potential model, and more accurate density functional theory calculations used to assess the most promising materials. The data generated by these calculations will be analyzed to identify new materials and/or classes of materials that are likely to have high proton mobility, which could lead to sigificant advances in the development of efficient electrolyzers and fuel cells.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Aug 12, 2016
- Source ID
- N000141512494
Entities
People
- Timothy K. Mueller
Organizations
- Johns Hopkins University
- Office of Naval Research
- United States Navy