Achieving delafossite analog by in situ electrochemical self-reconstruction as an oxygen-evolving catalyst.

ABSTRACT: Development of novel and robust oxygen evolution reaction (OER) catalysts with well-modulated atomic and electronic structure remains a challenge. Compared to the well-known metal hydroxides or (oxyhydr)oxides with lamellar structure, delafossites (ABO₂) are characterized by alternating layers of A cations and edge-sharing BO₂ octahedra, but are rarely used in OER due to their poor electron conductivity and intrinsic activity. Here, we propose a delafossite analog by mutation of metal oxyhydroxide and delafossite based on first-principles calculations. Modulation on the electronic structure due to distortion of the original crystal field of the BO₂ layers is calculated to enhance electron conductivity and catalytic activity. Inspired by the theoretical desi

SUBMITTER: Liu J 

PROVIDER: S-EPMC7486770 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature