Fine-tuning d-p hybridization in Ni-B x cocatalyst for enhanced photocatalytic H2 production
Abstract The H2-evolution kinetics play a pivotal role in governing the photocatalytic hydrogen-evolution process. However, achieving precise regulation of the H-adsorption and H-desorption equilibrium (Hads/Hdes) still remains a great challenge. Herein, we propose a fine-tuning d-p hybridization st...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2025-01-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-025-56306-x |
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| author | Haoyu Long Xidong Zhang Zhenyi Zhang Jianjun Zhang Jiaguo Yu Huogen Yu |
| author_facet | Haoyu Long Xidong Zhang Zhenyi Zhang Jianjun Zhang Jiaguo Yu Huogen Yu |
| author_sort | Haoyu Long |
| collection | DOAJ |
| description | Abstract The H2-evolution kinetics play a pivotal role in governing the photocatalytic hydrogen-evolution process. However, achieving precise regulation of the H-adsorption and H-desorption equilibrium (Hads/Hdes) still remains a great challenge. Herein, we propose a fine-tuning d-p hybridization strategy to precisely optimize the Hads/Hdes kinetics in a Ni-B x modified CdS photocatalyst (Ni-B x /CdS). X-ray absorption fine-structure spectroscopy and theoretical calculations reveal that increasing B-atom amount in the Ni-B x cocatalyst gradually strengthens the d-p orbital interaction between Ni3d and B2p , resulting in a consecutive d-band broadening and controllable d-band center on Ni active sites. The above consecutive d-band optimization allows for precise modulation of the Hads/Hdes dynamics in the Ni-B x /CdS, ultimately demonstrating a remarkable H2-evolution activity of 13.4 mmol g-1 h-1 (AQE = 56.1 %). The femtosecond transient absorption spectroscopy further confirms the rapid electron-transfer dynamics in the Ni-B x /CdS photocatalyst. This work provides insights into the optimal design of prospective H2-evolution catalysts. |
| format | Article |
| id | doaj-art-5cd8a6856210494a86b16a8704b33412 |
| institution | Kabale University |
| issn | 2041-1723 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj-art-5cd8a6856210494a86b16a8704b334122025-01-26T12:41:05ZengNature PortfolioNature Communications2041-17232025-01-0116111110.1038/s41467-025-56306-xFine-tuning d-p hybridization in Ni-B x cocatalyst for enhanced photocatalytic H2 productionHaoyu Long0Xidong Zhang1Zhenyi Zhang2Jianjun Zhang3Jiaguo Yu4Huogen Yu5Laboratory of Solar Fuel, Faculty of Materials Science and Chemistry, China University of GeosciencesLaboratory of Solar Fuel, Faculty of Materials Science and Chemistry, China University of GeosciencesKey Laboratory of New Energy and Rare Earth Resource Utilization of State Ethnic Affairs Commission, School of Physics and Materials Engineering, Dalian Minzu UniversityLaboratory of Solar Fuel, Faculty of Materials Science and Chemistry, China University of GeosciencesLaboratory of Solar Fuel, Faculty of Materials Science and Chemistry, China University of GeosciencesLaboratory of Solar Fuel, Faculty of Materials Science and Chemistry, China University of GeosciencesAbstract The H2-evolution kinetics play a pivotal role in governing the photocatalytic hydrogen-evolution process. However, achieving precise regulation of the H-adsorption and H-desorption equilibrium (Hads/Hdes) still remains a great challenge. Herein, we propose a fine-tuning d-p hybridization strategy to precisely optimize the Hads/Hdes kinetics in a Ni-B x modified CdS photocatalyst (Ni-B x /CdS). X-ray absorption fine-structure spectroscopy and theoretical calculations reveal that increasing B-atom amount in the Ni-B x cocatalyst gradually strengthens the d-p orbital interaction between Ni3d and B2p , resulting in a consecutive d-band broadening and controllable d-band center on Ni active sites. The above consecutive d-band optimization allows for precise modulation of the Hads/Hdes dynamics in the Ni-B x /CdS, ultimately demonstrating a remarkable H2-evolution activity of 13.4 mmol g-1 h-1 (AQE = 56.1 %). The femtosecond transient absorption spectroscopy further confirms the rapid electron-transfer dynamics in the Ni-B x /CdS photocatalyst. This work provides insights into the optimal design of prospective H2-evolution catalysts.https://doi.org/10.1038/s41467-025-56306-x |
| spellingShingle | Haoyu Long Xidong Zhang Zhenyi Zhang Jianjun Zhang Jiaguo Yu Huogen Yu Fine-tuning d-p hybridization in Ni-B x cocatalyst for enhanced photocatalytic H2 production Nature Communications |
| title | Fine-tuning d-p hybridization in Ni-B x cocatalyst for enhanced photocatalytic H2 production |
| title_full | Fine-tuning d-p hybridization in Ni-B x cocatalyst for enhanced photocatalytic H2 production |
| title_fullStr | Fine-tuning d-p hybridization in Ni-B x cocatalyst for enhanced photocatalytic H2 production |
| title_full_unstemmed | Fine-tuning d-p hybridization in Ni-B x cocatalyst for enhanced photocatalytic H2 production |
| title_short | Fine-tuning d-p hybridization in Ni-B x cocatalyst for enhanced photocatalytic H2 production |
| title_sort | fine tuning d p hybridization in ni b x cocatalyst for enhanced photocatalytic h2 production |
| url | https://doi.org/10.1038/s41467-025-56306-x |
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