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Updated: Oct 11, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
Insight into the Reactivity of Carbon Structures for Nitrogen Reduction Reaction
Qinye Li1, Siyao Qiu2, Min Yan2
1School of Chemical Engineering, Monash University, Clayton, Victoria 3800, Australia.
Abstract:
Graphene-based structures have been widely reported as promising metal-free catalysts for nitrogen reduction reaction. To explain the reactivity origin, various structures have been proposed and debated, including defects, functional groups, and doped heteroatoms. This computational work demonstrates that these structures may evolve from one to another under electrochemical conditions, generating weakly coordinated carbons, which have been identified as the active sites for N2 adsorption and activation.
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