Metal single-site catalyst design for electrocatalytic production of hydrogen peroxide at industrial-relevant currents.

ABSTRACT: Direct hydrogen peroxide (H₂O₂) electrosynthesis via the two-electron oxygen reduction reaction is a sustainable alternative to the traditional energy-intensive anthraquinone technology. However, high-performance and scalable electrocatalysts with industrial-relevant production rates remain to be challenging, partially due to insufficient atomic level understanding in catalyst design. Here we utilize theoretical approaches to identify transition-metal single-site catalysts for two-electron oxygen reduction using the *OOH binding energy as a descriptor. The theoretical predictions are then used as guidance to synthesize the desired cobalt single-site catalyst with a O-modified Co-(pyrrolic N)₄ configuration that can achieve industrial-relevant current densit

SUBMITTER: Cao P 

PROVIDER: S-EPMC9837053 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature