skip to main content

Title: Final report for DESC0004031

In this project we aim to develop new multicomponent oxide-based electrocatalysts for the oxygen evolution reaction using combined theoretical and experimental approaches. We use density functional theory to compute the electronic structure and reactivity proxies of model oxide materials. From the understanding generated from these calculations, we synthesize materials and characterize their oxygen evolution activity. We use in situ spectroscopic methods to characterize oxide electrodes under reaction conditions. We also develop new data sharing strategies to facilitate the reuse of our data by others. Our work has several potential impacts of interest to DOE. First, the discovery of new oxygen evolution electrocatalysts directly affects the efficiency of many energy-related processes from hydrogen generation to air separation and electrochemical fuel synthesis. Second, we have identified new ways to promote the oxygen evolution reaction for some materials through the electrolyte. This opens new pathways to improving the efficiency of processes involving oxygen evolution. The ability to characterize electrodes under operating conditions enables new insights into the actual structure and composition of the materials, which we are finding are not the same as the as prepared materials. Finally, DOE has significant need and interest in improving the ability to share data among researchers.
ORCiD logo [1]
  1. Carnegie Mellon Univ., Pittsburgh, PA (United States)
Publication Date:
OSTI Identifier:
Report Number(s):
DOE Contract Number:
Resource Type:
Technical Report
Research Org:
Carnegie Mellon Univ., Pittsburgh, PA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States