Tunable e_g Orbital Occupancy in Heusler Compounds for Oxygen Evolution Reaction*.

ABSTRACT: Heusler compounds have potential in electrocatalysis because of their mechanical robustness, metallic conductivity, and wide tunability in the electronic structure and element compositions. This study reports the first application of Co₂ YZ-type Heusler compounds as electrocatalysts for the oxygen evolution reaction (OER). A range of Co₂ YZ crystals was synthesized through the arc-melting method and the e_g orbital filling of Co was precisely regulated by varying Y and Z sites of the compound. A correlation between the e_g orbital filling of reactive Co sites and OER activity was found for Co₂ MnZ compounds (Z=Ti, Al, V, and Ga), whereby higher catalytic current was achieved for e_g orbital filling approaching unity. A similar

SUBMITTER: Yu M 

PROVIDER: S-EPMC7986729 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature