When Evidence Travels in Electrocatalytic Active-Site Design: Causal Claims and Stress-Tested Evaluation

Authors

  • Holden Mercer Author
  • Jared Benson Author
  • Kieran Norton Author

Keywords:

Electrocatalytic Active-Site Design, Coordination Structure, Adsorption Energetics, Selectivity, Operando Evidence, Durability

Abstract

Research spanning electrocatalytic active-site design increasingly joins methods that were developed for different objects and decisions. Here, chalcogenide-anion regulation of Ni2Mo6Te8 stability and nitrate-to-ammonia selectivity is compared with cooperative atomically dispersed Fe-N4 and Sn-Nx coordination sites for oxygen reduction to determine which claims can travel across those boundaries and which remain context dependent. The review draws on two focal records and 12 established sources already present in the project evidence cache. Its comparative framework links coordination structure, adsorption energetics, and selectivity to downstream questions of operando evidence and durability. Comparison reveals recurring trade-offs among coordination structure, adsorption energetics, and selectivity. These trade-offs do not support a universal ranking; instead, they identify the operating envelope within which each method remains credible and the perturbations most likely to expose fragile conclusions. The contribution is a decision-oriented synthesis that connects method selection to failure cost and treats reproducibility, provenance, and bounded generalization as first-order design requirements.

Archive transfer

Originally published in Inclusive Growth and Management Quarterly (NB), article 69, on 2026-08-31. Transferred to Studies in Science and Discovery on 3 November 2026. The original authors, publication date and article text are retained.

References

  1. Xia, F., Li, B., Liu, Y., Tan, H., An, B., Gao, S., Marks, T. J., & Cheng, Y. (2024). Critical Roles of Chalcogenide Anion on Strengthening Stability of Ni2Mo6Te8 for Almost Exclusive Electrocatalysts Nitrate to Ammonia Conversion. Advanced Functional Materials, 34(14), 2312079.
  2. Xia, F., Li, B., An, B., Zachman, M. J., Xie, X., Liu, Y., Xu, S., Saha, S., Wu, Q., Gao, S., Abdul Razak, I. B., Brown, D. E., Ramani, V., Wang, R., Marks, T. J., Shao, Y., & Cheng, Y. (2024). Cooperative Atomically Dispersed Fe–N4 and Sn–Nx Moieties for Durable and More Active Oxygen Electroreduction in Fuel Cells. Journal of the American Chemical Society, 146(49), 33569-33578. https://doi.org/10.1021/jacs.4c11121
  3. Zhao, X., Geng, Q., Dong, F., Zhao, K., Chen, S., Yu, H., et al. (2023). Boosting the selectivity and efficiency of nitrate reduction to ammonia with a single-atom Cu electrocatalyst. Chemical Engineering Journal, 466, 143314. https://doi.org/10.1016/j.cej.2023.143314
  4. Yin, S., & Wang, Y. (2025). Single-Atom Catalysts for Electrochemical Nitrate Reduction to Ammonia: Rational Design, Mechanistic Insights, and System Perspectives. Catalysts, 15(11), 1084. https://doi.org/10.3390/catal15111084
  5. Niu, Z., & Wang, G. (2025). Rational electrocatalyst design for selective nitrate reduction to ammonia. Chemical Physics Reviews, 6(1). https://doi.org/10.1063/5.0230248
  6. Mo, Z., Mu, J., & Liu, B. (2024). Transition metal single-atom electrocatalytic reduction catalyst for nitrate to ammonia. Journal of Electroanalytical Chemistry, 969, 118533. https://doi.org/10.1016/j.jelechem.2024.118533
  7. Chen, X., Ji, X., & Kou, J. (2023). Rational design of iron single-atom catalysts for electrochemical nitrate reduction to produce ammonia. Discover Chemical Engineering, 3(1). https://doi.org/10.1007/s43938-023-00038-1
  8. Liu, G., & Hao, C. (2025). Theoretical Calculations on Hexagonal-Boron-Nitride-(h-BN)-Supported Single-Atom Cu for the Reduction of Nitrate to Ammonia. Molecules, 30(24), 4700. https://doi.org/10.3390/molecules30244700
  9. Rivera, D., Gupta, S., & Muhich, C. L. (2024). (Invited) Fundamentals of Single Atom Alloy Catalysts for Electrochemical Nitrate Reduction to Ammonia. ECS Meeting Abstracts, MA2024-01(39), 2316-2316. https://doi.org/10.1149/ma2024-01392316mtgabs
  10. Yang, D., Li, Y., & Han, G. (2021). Single-atom Fe-N-G as an efficient electrocatalyst for oxygen reduction reaction. Journal of Electroanalytical Chemistry, 892, 115271. https://doi.org/10.1016/j.jelechem.2021.115271
  11. Chao, G., Wang, J., Zong, W., Fan, W., Xue, T., Zhang, L., et al. (2024). Single‐atom catalysts for electrocatalytic nitrate reduction into ammonia. Nanotechnology, 35(43), 432001. https://doi.org/10.1088/1361-6528/ad64d9
  12. Yin, H., Peng, Y., & Li, J. (2023). Electrocatalytic Reduction of Nitrate to Ammonia via a Au/Cu Single Atom Alloy Catalyst. Environmental Science & Technology, 57(8), 3134-3144. https://doi.org/10.1021/acs.est.2c07968
  13. Zhao, M., Gan, G., & Zhang, Q. (2022). Different Bonding Defects on Dual‐Metal Single‐Atom Electrocatalyst CoZnN 6 (OH) for Oxygen Reduction Reaction. ChemPhysChem, 23(8). https://doi.org/10.1002/cphc.202100902
  14. Yan, J., Xu, H., Chang, L., Lin, A., & Cheng, D. (2022). Revealing the pH-dependent mechanism of nitrate electrochemical reduction to ammonia on single-atom catalysts. Nanoscale, 14(41), 15422-15431. https://doi.org/10.1039/d2nr02545k

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Published

2026-08-31

Issue

2026: Transferred NB archive: original Vol. 4, No. 3

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Articles

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Copyright (c) 2026 Holden Mercer, Jared Benson, Kieran Norton (Author)

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This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.