Enhancing the oxygen evolution reaction by tuning the electrode–electrolyte interface in nickel-based electrocatalysts
Abstract A comprehensive understanding of the electrode-electrolyte interface in energy conversion systems remains challenging due to the complex and multifaceted nature of interfacial processes. This complexity hinders the development of more efficient electrocatalysts. In this work, we propose a h...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2025-04-01
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| Series: | Communications Chemistry |
| Online Access: | https://doi.org/10.1038/s42004-025-01508-z |
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| author | Ben Wang Tomohiro Fukushima Hiro Minamimoto Andrey Lyalin Kei Murakoshi Tetsuya Taketsugu |
| author_facet | Ben Wang Tomohiro Fukushima Hiro Minamimoto Andrey Lyalin Kei Murakoshi Tetsuya Taketsugu |
| author_sort | Ben Wang |
| collection | DOAJ |
| description | Abstract A comprehensive understanding of the electrode-electrolyte interface in energy conversion systems remains challenging due to the complex and multifaceted nature of interfacial processes. This complexity hinders the development of more efficient electrocatalysts. In this work, we propose a hybrid approach to the theoretical description of the OER process on nickel-iron-based oxyhydroxides (γ-Ni1−x Fe x OOH) electrodes in alkaline media as a model system. Multiple reaction pathways represented by the single- and dual-site mechanisms were investigated by taking into account the realistic structure of the catalyst, the doping, and the solvation effects using a simple and computationally feasible strategy. Accounting for the variable solvation effects considerably affects the predicted overpotential in a roughly linear relationship between overpotential and dielectric constant. By incorporating quantum chemical simulations with kinetic modeling, we demonstrate that tuning the local solvation environment can significantly enhance the OER activity, opening new routine ways for elucidation of the emerging issues of OER processes on transition metal oxide surfaces and design of cost-effective, efficient electrocatalytic systems. |
| format | Article |
| id | doaj-art-b3d7039f442647e9a4fd422fcb7cf2cf |
| institution | DOAJ |
| issn | 2399-3669 |
| language | English |
| publishDate | 2025-04-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Communications Chemistry |
| spelling | doaj-art-b3d7039f442647e9a4fd422fcb7cf2cf2025-08-20T03:06:48ZengNature PortfolioCommunications Chemistry2399-36692025-04-018111210.1038/s42004-025-01508-zEnhancing the oxygen evolution reaction by tuning the electrode–electrolyte interface in nickel-based electrocatalystsBen Wang0Tomohiro Fukushima1Hiro Minamimoto2Andrey Lyalin3Kei Murakoshi4Tetsuya Taketsugu5Department of Chemistry, Faculty of Science, Hokkaido UniversityDepartment of Chemistry, Faculty of Science, Hokkaido UniversityDepartment of Chemical Science and Engineering, Graduate School of Engineering, Kobe UniversityDepartment of Chemistry, Faculty of Science, Hokkaido UniversityDepartment of Chemistry, Faculty of Science, Hokkaido UniversityDepartment of Chemistry, Faculty of Science, Hokkaido UniversityAbstract A comprehensive understanding of the electrode-electrolyte interface in energy conversion systems remains challenging due to the complex and multifaceted nature of interfacial processes. This complexity hinders the development of more efficient electrocatalysts. In this work, we propose a hybrid approach to the theoretical description of the OER process on nickel-iron-based oxyhydroxides (γ-Ni1−x Fe x OOH) electrodes in alkaline media as a model system. Multiple reaction pathways represented by the single- and dual-site mechanisms were investigated by taking into account the realistic structure of the catalyst, the doping, and the solvation effects using a simple and computationally feasible strategy. Accounting for the variable solvation effects considerably affects the predicted overpotential in a roughly linear relationship between overpotential and dielectric constant. By incorporating quantum chemical simulations with kinetic modeling, we demonstrate that tuning the local solvation environment can significantly enhance the OER activity, opening new routine ways for elucidation of the emerging issues of OER processes on transition metal oxide surfaces and design of cost-effective, efficient electrocatalytic systems.https://doi.org/10.1038/s42004-025-01508-z |
| spellingShingle | Ben Wang Tomohiro Fukushima Hiro Minamimoto Andrey Lyalin Kei Murakoshi Tetsuya Taketsugu Enhancing the oxygen evolution reaction by tuning the electrode–electrolyte interface in nickel-based electrocatalysts Communications Chemistry |
| title | Enhancing the oxygen evolution reaction by tuning the electrode–electrolyte interface in nickel-based electrocatalysts |
| title_full | Enhancing the oxygen evolution reaction by tuning the electrode–electrolyte interface in nickel-based electrocatalysts |
| title_fullStr | Enhancing the oxygen evolution reaction by tuning the electrode–electrolyte interface in nickel-based electrocatalysts |
| title_full_unstemmed | Enhancing the oxygen evolution reaction by tuning the electrode–electrolyte interface in nickel-based electrocatalysts |
| title_short | Enhancing the oxygen evolution reaction by tuning the electrode–electrolyte interface in nickel-based electrocatalysts |
| title_sort | enhancing the oxygen evolution reaction by tuning the electrode electrolyte interface in nickel based electrocatalysts |
| url | https://doi.org/10.1038/s42004-025-01508-z |
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