Unraveling the O₂ Reduction Reaction on 2D Monolayer LaNiO₃ Perovskite.

ABSTRACT: The O₂ reduction reaction (ORR) occurring at cathodes is a critical reaction in many electrochemical energy-converting devices such as fuel cells. The reaction kinematics of the ORR is generally very slow with high overpotentials and needs to be enhanced by using an efficient electrocatalyst. The highly recognized Pt-based electrocatalyst needs to be replaced with a low-cost non-noble metal-based electrocatalyst for catalyzing the ORR. We theoretically studied the structural and electronic properties of 3D bulk LaNiO₃ perovskite. We have cleaved the (0 0 1) surface from 3D LaNiO₃, which has a zero band gap (E _g), to create 2D monolayer LaNiO₃ computationally and studied its electronic properties. Our study demonstrates that the

SUBMITTER: Halba D 

PROVIDER: S-EPMC11339991 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature