Microenvironment reconstitution of highly active Ni single atoms on oxygen-incorporated Mo2C for water splitting

Mengyun Hou, Lirong Zheng, Di Zhao*, Xin Tan, Wuyi Feng, Jiantao Fu, Tianxin Wei, Minhua Cao*, Jiatao Zhang*, Chen Chen*

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

41 引用 (Scopus)

摘要

The rational design of efficient bifunctional single-atom electrocatalysts for industrial water splitting and the comprehensive understanding of its complex catalytic mechanisms remain challenging. Here, we report a Ni single atoms supported on oxygen-incorporated Mo2C via Ni-O-Mo bridge bonds, that gives high oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) bifunctional activity. By ex situ synchrotron X-ray absorption spectroscopy and electron microscopy, we found that after HER, the coordination number and bond lengths of Ni-O and Ni-Mo (Ni-O-Mo) were all altered, yet the Ni species still remain atomically dispersed. In contrast, after OER, the atomically dispersed Ni were agglomerated into very small clusters with new Ni-Ni (Ni-O-Ni) bonds appeared. Combining experimental results and DFT calculations, we infer the oxidation degree of Mo2C and the configuration of single-atom Ni are both vital for HER or OER. This study provides both a feasible strategy and model to rational design highly efficient electrocatalysts for water electrolysis.

源语言英语
文章编号1342
期刊Nature Communications
15
1
DOI
出版状态已出版 - 12月 2024

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Hou, M., Zheng, L., Zhao, D., Tan, X., Feng, W., Fu, J., Wei, T., Cao, M., Zhang, J., & Chen, C. (2024). Microenvironment reconstitution of highly active Ni single atoms on oxygen-incorporated Mo2C for water splitting. Nature Communications, 15(1), 文章 1342. https://doi.org/10.1038/s41467-024-45533-3