Tri-Functional Carbon Nanocages Coated Coni Electrocatalyst with Micro Twinning Structure for High Performance Electrochemical Devices

Abstract

Highlights● The catalysts are made of N-doped carbon-coated CoNi nanoparticles, which contain multi-active sites including alloyed nanoparticles, micro twinning structure and single atom sites.● Theoretical calculations verified that the micro twinning structures originating from fcc-hcp phase transition promoted electrocatalytic activities towards different reactions effectively due to the optimized adsorption energy towards different intermediates.● The synergic effect between the multi-active sites further optimized the electronic structures, realized the tri-functional and led to the deviation from the Scaling Effect.

Keywords: Nitrogen doped carbon cages, CoNi alloy, Micro-twinning, Tri-functional, Electrochemical devices