The DOI matches its Crossref record; 7 of the 7 references it cites were found in a registry or an index.
Theoretical design and experimental implementation of Ag/Au electrodes for the electrochemical reduction of nitrate
Abstract
The current imbalance in the biogeochemical cycle of nitrogen is as serious as that of carbon. One way to mitigate this problem is through the electrochemical reduction of nitrates under mild conditions, which is an appealing though not fully understood process. Therefore, deeper insight into the electrocatalytic reaction mechanism is needed to optimize this process. Here we thoroughly analyse the adsorption energy of nitrate with DFT calculations on various surface facets of pure Au, Ag, and their near-surface and surface alloys, as the adsorption and subsequent reduction of nitrate are thought to be rate limiting in the electrocatalytic reaction. The observed systematic trends allow prediction of the surface with highest electrocatalytic activity for the reduction of nitrate. This prediction was verified experimentally by depositing sub-monolayer amounts of Ag on polycrystalline Au electrodes. We observe a well-defined volcano curve which correlates the amount of Ag deposited on the surface with the current density at a fixed potential, with the peak activity around 2/3 ML Ag surface coverage. The electrocatalytic activity and stability of the bimetallic Ag-Au systems, found through the interplay of theoretical modelling and empirical observations, serve as a clear example for the rational design of novel catalytic materials and confirm the key role that the adsorption of nitrate plays in the overall nitrate reduction rate.
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Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces
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Self-citationComputational high-throughput screening of electrocatalytic materials for hydrogen evolution
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Alloys of platinum and early transition metals as oxygen reduction electrocatalysts
Greeley, J., Stephens, I. E. L., Bondarenko, A. S., Johansson, T. P., Hansen, H. A., Jaramillo, T. F., Rossmeisl, J., Chorkendorff, I., & Nørskov, J. K. (2009) · Nature Chemistry · doi:10.1038/nchem.367 · Cited by 3,203
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Tuning the Activity of Pt(111) for Oxygen Electroreduction by Subsurface Alloying
Stephens, I. E. L., Bondarenko, A. S., Perez-Alonso, F. J., Calle-Vallejo, F., Bech, L., Johansson, T. P., Jepsen, A. K., Frydendal, R., Knudsen, B. P., Rossmeisl, J., et al. (2011) · Journal of the American Chemical Society · doi:10.1021/ja111690g · Cited by 526
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Cited by
Electrochemical ammonia synthesis via nitrate reduction on Fe single atom catalyst
Wu, Z.-Y., Karamad, M., Yong, X., Huang, Q., Cullen, D. A., Zhu, P., Xia, C., Xiao, Q., Shakouri, M., Chen, F.-Y., et al. (2021) · Nature Communications · doi:10.1038/s41467-021-23115-x · Cited by 1,516
Electrocatalytic reduction of nitrate – a step towards a sustainable nitrogen cycle
Xu, H., Ma, Y., Chen, J., Zhang, W.-X., & Yang, J. (2022) · Chemical Society Reviews · doi:10.1039/d1cs00857a · Cited by 1,160
Activity and Selectivity Trends in Electrocatalytic Nitrate Reduction on Transition Metals
Liu, J.-X., Richards, D., Singh, N., & Goldsmith, B. R. (2019) · ACS Catalysis · doi:10.1021/acscatal.9b02179 · Cited by 847
Niu, H., Zhang, Z., Wang, X., Wan, X., Shao, C., & Guo, Y. (2021) · Advanced Functional Materials · doi:10.1002/adfm.202008533 · Cited by 538
Recent discoveries in the reaction mechanism of heterogeneous electrocatalytic nitrate reduction
Wang, Z., Richards, D., & Singh, N. (2021) · Catalysis Science & Technology · doi:10.1039/d0cy02025g · Cited by 284
Metadata
- Authors
- Calle-Vallejo, F., Huang, M., Henry, J. B., Koper, M. T. M., & Bandarenka, A. S.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2013
- Volume
- 15
- Issue
- 9
- Pages
- 3196
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W2165376708
- Cited by
- 175
- References
- 7
- FWCI
- 1.24
- Type
- journal article
- Language
- en
- Open access
- closed
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- Calle-Vallejo, F., Huang, M., Henry, J. B., Koper, M. T. M., & Bandarenka, A. S. (2013). Theoretical design and experimental implementation of Ag/Au electrodes for the electrochemical reduction of nitrate. Physical Chemistry Chemical Physics. https://doi.org/10.1039/c2cp44620k
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