Deciphering the selectivity descriptors of heterogeneous metal phthalocyanine electrocatalysts for hydrogen peroxide production.

ABSTRACT: The electrocatalytic 2e^- oxygen reduction reaction (2e^- ORR) provides an appealing pathway to produce hydrogen peroxide (H₂O₂) in a decentralized and clean manner, which drives the demand for developing high selectivity electrocatalysts. However, current understanding on selectivity descriptors of 2e^- ORR electrocatalysts is still insufficient, limiting the optimization of catalyst design. Here we study the catalytic performances of a series of metal phthalocyanines (MPcs, M = Co, Ni, Zn, Cu, Mn) for 2e^- ORR by combining density functional theory calculations with electrochemical measurements. Two descriptors (ΔG _*O - ΔG _*OOH and ΔG _*H2O2 ) are uncov

SUBMITTER: Yuan Y 

PROVIDER: S-EPMC9516951 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature