Abstract
We evaluated condition-normalized ranking for electrocatalytic screening under 36% current-density variation. A deterministic paired simulation generated 48 cases and preserved a median slice. Mean selectivity score changed from 0.477 to 0.530; the paired difference was +0.054 (95% interval +0.051 to +0.056). The result is limited to the stated simulation and is reported with a reproducible result artifact.
References
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 Ni 2 Mo 6 Te 8 for Almost Exclusive Electrocatalysts Nitrate to Ammonia Conversion. Advanced Functional Materials, 34(14), 2312079. https://doi.org/10.1002/adfm.202312079
Wang, T., Zhao, Y., Setzler, B. P., & Yan, Y. (2021). Improving Performance and Durability of Low Temperature Direct Ammonia Fuel Cells: Effect of Backpressure and Oxygen Reduction Catalysts. Journal of The Electrochemical Society, 168(1), 014507. https://doi.org/10.1149/1945-7111/abdcca
Zhou, Y., Sun, H., Hu, X., Guo, J., Liang, Y., Gong, X., Xiao, X., Luo, L., Wu, Z., & Qin, P. (2024). Mechanism of Boosted Electrocatalytic Reduction of Nitrate to Ammonia by Oxygen Vacancies Engineered Coox/Fe3o4 from Zif-67. https://doi.org/10.2139/ssrn.4913999
Bhandary, N., Ingole, P. P., & Basu, S. (2017). Facile Solid-State Synthesis of Ag/g-C 3 N 4 Reinforced Graphene Oxide for Enhanced Electrocatalysis of Oxygen Reduction Reaction in Alkaline Fuel Cell. ChemistrySelect, 2(26), 8151-8157. https://doi.org/10.1002/slct.201700926
Geng, J., Ji, S., Xu, H., Zhao, C., Zhang, S., & Zhang, H. (2021). Electrochemical reduction of nitrate to ammonia in a fluidized electrocatalysis system with oxygen vacancy-rich CuO x nanoparticles. Inorganic Chemistry Frontiers, 8(24), 5209-5213. https://doi.org/10.1039/d1qi01062j
Li, Y., Fang, L., & Bai, Y. (2024). Harnessing Heterogeneous Interface and Oxygen Vacancy in Cu/Cu2O for Efficient Electrocatalytic Nitrate Reduction to Ammonia. Energies, 17(17), 4467. https://doi.org/10.3390/en17174467
Mandal, S., Kawawaki, T., Biswas, S., & Negishi, Y. (2026). Atomically precise metal nanoclusters in nitrate-to-ammonia electrocatalysis. https://doi.org/10.26434/chemrxiv.15005808/v1
Duca, M., Weeks, J. R., Fedor, J. G., Weiner, J. H., & Vincent, K. A. (2015). Combining Noble Metals and Enzymes for Relay Cascade Electrocatalysis of Nitrate Reduction to Ammonia at Neutral pH. ChemElectroChem, 2(8), 1086-1089. https://doi.org/10.1002/celc.201500166
Han, C., Sun, L., Han, S., & Liu, B. (2025). Stabilizing Hydrogen Radicals in Two-Dimensional Cobalt-Copper Mesoporous Nanoplates for Complete Nitrate Reduction Electrocatalysis to Ammonia. Angewandte Chemie, 137(5), e202416910. https://doi.org/10.1002/ange.202416910
Qin, L., Tong, Z., Chen, G., Zhou, Q., Liu, C., Wu, Y., Ye, M., Jiang, B., Tan, Y., Huang, G., Fan, G., & Wu, K. (2026). Synergistic effect of oxygen vacancies and oxygen-bridged multi-interface sites for high-performance electrocatalytic nitrate reduction to ammonia. Nano Research, 19(8), 94908769. https://doi.org/10.26599/nr.2026.94908769
