Graphdiyne Supported Single-cluster Catalysts Catalyzed Electrochemical Nitrogen Reduction Reaction: A First-Principles Investigation

Lin Zhou,Xing Chen,Mingqi He,Xiangyu Zhu,Yanan Zhou,Zhang-Hui Lu,Qiquan Luo

FlatChem（2023）

Cited 1|Views12

No score

Abstract

•Inspired by biological nitrogen fixation enzymes, GDY based single-cluster catalysts were designed.•Cr3/GDY, W3/GDY, and Cr2Mo1/GDY exhibit high stability, selectivity, and activity toward ammonia production.•The growth energy of the supported atomic metal center was evaluated, ensuring that synthesis is possible theoretically.

Translated text

Key words

Electrochemical nitrogen reduction reaction,Density functional theory,Single-cluster catalysts,Graphdiyne support,Catalysts rational design

AI Read Science

Must-Reading Tree

Example

Generate MRT to find the research sequence of this paper

Chat Paper

Summary is being generated by the instructions you defined