Construction of Single-Atom Catalysts for N, O Synergistic Coordination and Application to Electrocatalytic O2 Reduction
Abstract
:1. Introduction
2. Results and Discussion
2.1. The Structural Features of TM-N2O2Cx Single-Atom Catalysts
2.2. The Structural Stability of TM-N2O2Cx
2.3. O2 Adsorption
2.4. ORR Catalytic Performance
2.4.1. Selectivity of Reaction (2e− or 4e−)
2.4.2. 4e− Pathway
2.5. Scaling Relationship between Oxygen-Containing Intermediates
3. Computational Methods
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
Sample Availability
References
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TM-N2O2Cx | PDS | UL | ƞ |
---|---|---|---|
Sc-N2O2Cx | *OH → * + H2O | −1.68 | 2.91 |
Ti-N2O2Cx | *OH → * + H2O | −1.44 | 2.67 |
V-N2O2Cx | *OH → * + H2O | −0.80 | 2.03 |
Cr-N2O2Cx | *OH → * + H2O | −0.02 | 1.25 |
Mn-N2O2Cx | *OH → * + H2O | 0.23 | 1.00 |
Fe-N2O2Cx | *OH → * + H2O | 0.35 | 0.88 |
Co-N2O2Cx | *OH → * + H2O | 0.79 | 0.44 |
Ni-N2O2Cx | * + O2 → O*OH | 0.74 | 0.49 |
Cu-N2O2Cx | * + O2 → O*OH | 0.70 | 0.53 |
Zn-N2O2Cx | O*OH→ *+H2O2 | 0.30 | 0.93 |
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Liu, J.-H.; Jiang, H.; Liao, B.; Cao, X.; Yu, L.; Chen, X. Construction of Single-Atom Catalysts for N, O Synergistic Coordination and Application to Electrocatalytic O2 Reduction. Molecules 2023, 28, 7264. https://doi.org/10.3390/molecules28217264
Liu J-H, Jiang H, Liao B, Cao X, Yu L, Chen X. Construction of Single-Atom Catalysts for N, O Synergistic Coordination and Application to Electrocatalytic O2 Reduction. Molecules. 2023; 28(21):7264. https://doi.org/10.3390/molecules28217264
Chicago/Turabian StyleLiu, Jin-Hang, Huixiong Jiang, Bokai Liao, Xiaohua Cao, Langhua Yu, and Xiudong Chen. 2023. "Construction of Single-Atom Catalysts for N, O Synergistic Coordination and Application to Electrocatalytic O2 Reduction" Molecules 28, no. 21: 7264. https://doi.org/10.3390/molecules28217264