The DOI matches its Crossref record; 8 of the 8 references it cites were found in a registry or an index.
Designing 3d Transition Metal Cation-Doped MRuOx As Durable Acidic Oxygen Evolution Electrocatalysts for PEM Water Electrolyzers
Abstract
The continuous dissolution and oxidation of active sites in Ru-based electrocatalysts have greatly hindered their practical application in proton exchange membrane water electrolyzers (PEMWE). In this work, we first used density functional theory (DFT) to calculate the dissolution energy of Ru in the 3d transition metal-doped MRuO x (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) to evaluate their stability for acidic oxygen evolution reaction (OER) and screen out ZnRuO x as the best candidate. To confirm the theoretical predictions, we experimentally synthesized these MRuO x materials and found that ZnRuO x indeed displays robust acidic OER stability with a negligible decay of η 10 after 15 000 CV cycles. Of importance, using ZnRuO x as the anode, the PEMWE can run stably for 120 h at 200 mA cm –2 . We also further uncover the stability mechanism of ZnRuO x, i.e., Zn atoms doped in the outside of ZnRuO x nanocrystal would form a “Zn-rich” shell, which effectively shortened average Ru–O bond lengths in ZnRuO x to strengthen the Ru–O interaction and therefore boosted intrinsic stability of ZnRuO x in acidic OER. In short, this work not only provides a new study paradigm of using DFT calculations to guide the experimental synthesis but also offers a proof-of-concept with 3d metal dopants as RuO 2 stabilizer as a universal principle to develop high-durability Ru-based catalysts for PEMWE.
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Cites
Opportunities and challenges for a sustainable energy future
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Homogeneously dispersed multimetal oxygen-evolving catalysts
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Ni 3 N–CeO 2 Heterostructure Bifunctional Catalysts for Electrochemical Water Splitting
Ding, X., Jiang, R., Wu, J., Xing, M., Qiao, Z., Zeng, X., Wang, S., & Cao, D. (2023) · Advanced Functional Materials · doi:10.1002/adfm.202306786 · Cited by 255
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Cited by
Tantalum-stabilized ruthenium oxide electrocatalysts for industrial water electrolysis
Zhang, J., Fu, X., Kwon, S., Chen, K., Liu, X., Yang, J., Sun, H., Wang, Y., Uchiyama, T., Uchimoto, Y., et al. (2025) · Science · doi:10.1126/science.ado9938 · Cited by 494
Deng, L., Chen, H., Hung, S.-F., Zhang, Y., Yu, H., Chen, H.-Y., Li, L., & Peng, S. (2024) · Journal of the American Chemical Society · doi:10.1021/jacs.4c14529 · Cited by 281
Recent achievements in noble metal-based oxide electrocatalysts for water splitting
Wang, F., Xiao, L., Jiang, Y., Liu, X., Zhao, X., Kong, Q., Abdukayum, A., & Hu, G. (2025) · Materials Horizons · doi:10.1039/d4mh01315h · Cited by 86
Metadata
- Authors
- Sun, P., Qiao, Z., Dong, X., Jiang, R., Hu, Z.-T., Yun, J., & Cao, D.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2024-05-24
- Volume
- 146
- Issue
- 22
- Pages
- 15515-15524
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W4398770378
- Cited by
- 170
- References
- 8
- FWCI
- 11.23
- Type
- journal article
- Language
- en
- Open access
- closed
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- Sun, P., Qiao, Z., Dong, X., Jiang, R., Hu, Z.-T., Yun, J., & Cao, D. (2024). Designing 3d Transition Metal Cation-Doped MRuOx As Durable Acidic Oxygen Evolution Electrocatalysts for PEM Water Electrolyzers. Journal of the American Chemical Society. https://doi.org/10.1021/jacs.4c04096
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