Identifying Stable Electrocatalysts Initialized by Data Mining: Sb₂ WO₆ for Oxygen Reduction.

ABSTRACT: Data mining from computational materials database has become a popular strategy to identify unexplored catalysts. Herein, the opportunities and challenges of this strategy are analyzed by investigating a discrepancy between data mining and experiments in identifying low-cost metal oxide (MO) electrocatalysts. Based on a search engine capable of identifying stable MOs at the pH and potentials of interest, a series of MO electrocatalysts is identified as potential candidates for various reactions. Sb₂ WO₆ attracted the attention among the identified stable MOs in acid. Based on the aqueous stability diagram, Sb₂ WO₆ is stable under oxygen reduction reaction (ORR) in acidic media but rather unstable under high-pH ORR conditions. However, this contra

SUBMITTER: Jia X 

PROVIDER: S-EPMC10837344 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature