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Title: Theoretical Research Program on Bio-inspired Inorganic Hydrogen Generating Catalysts and Electrodes

In this project, we have successfully designed and characterized a promising biomimetic catalyst/electrode complex, [FeFe]P/FeS2 for producing hydrogen from water. It is comprised of earth-abundant materials and, with a diffusion-limited rate in acidified water, is efficient as well as oxygen tolerant. The theoretical techniques we have developed and the experience we have gained are broadly applicable for the design and analysis of biomimetic electrochemically active catalysts.
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Publication Date:
OSTI Identifier:
Report Number(s):
DOE Contract Number:
Resource Type:
Technical Report
Research Org:
The Trustees of Princeton University
Sponsoring Org:
USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Orgs:
Princeton Univeristy
Country of Publication:
United States
36 MATERIALS SCIENCE Theory and Computation, Hydrogen Evolution Reaction, Catalysis, Biomaterials