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• W3201815510 endingPage "132682" @default.
• W3201815510 startingPage "132682" @default.
• W3201815510 abstract "• P-NV-C 3 N 4 is synthesized through doping and the design of vacancy structure. • The structure can activate N 2 and reduce the PDS energy barrier for NRR. • The structure can effectively inhibit the competition of cathode HER. • P-NV-C 3 N 4 shows a remarkable catalytic activity for NRR. It is very significant to explore the metal-free electrocatalyst with high activity and good stability for Nitrogen reduction reaction (NRR). Herein, an efficient and stable metal-free NRR electrocatalyst P-NV-C 3 N 4 is synthesized successfully through the P doping in C 3 N 4 combined with the design of nitrogen vacancy (NV) structure. The electrocatalyst has excellent electrocatalytic activity, selectivity and stability (over 20 h) for NRR in neutral electrolyte. Its yield of NH 3 is 28.67 μg h −1 mg cat. −1 , and the FEs is 22.15% at −0.3 V (vs. RHE), which is considerably better than pristine C 3 N 4 , P-C 3 N 4 and NV-C 3 N 4 . Structural characterization and Density functional theory calculation (DFT) reveals that P doping can effectively promote water splitting and provide hydrogen source for nitrogen reduction. Meanwhile, the N-vacancy structure can significantly inhibit the formation of HER pathway, hinder the Heyrovsky step (H*→H 2 ), and promote the adsorption and activation of N 2 . Through the research of different NRR pathway, its optimal reaction pathway (distal pathway) is determined. In addition, P-NV-C 3 N 4 can reduce the energy barrier of potential-determining step (ΔG PDS ) in NRR process, and stabilize the reaction intermediates, thus improving its NRR performance." @default.
• W3201815510 created "2021-10-11" @default.
• W3201815510 creator A5008726615 @default.
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• W3201815510 date "2022-02-01" @default.
• W3201815510 modified "2023-10-16" @default.
• W3201815510 title "Phosphorus doped carbon nitride with rich nitrogen vacancy to enhance the electrocatalytic activity for nitrogen reduction reaction" @default.
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• W3201815510 doi "https://doi.org/10.1016/j.cej.2021.132682" @default.
• W3201815510 hasPublicationYear "2022" @default.
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