C3N-supported ⅢA group metal single-atom catalysts with different coordination microenvironments: Electrocatalytic NO reduction to ammonia
Applied Surface Science(2024)
Abstract
•Designed main-group single-atom catalysts for electrocatalytic NO reduction.•Studied the impact of coordination environments of C3N on catalytic performance.•Identified Al/Ga/In-C2N2 and Ga/In-C4 SACs with high catalytic performance.
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Key words
Electrochemical NO reduction reaction,Density functional theory,Single-atom catalysts,Defective C3N monolayer,ⅢA group metal
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