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Updated: Jul 3, 2025

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高活性Ni单个原子在含氧Mo₂C上的微环境复合,用于水分裂

Mengyun Hou¹, Lirong Zheng², Di Zhao³

¹Key Laboratory of Cluster Science, Ministry of Education of China, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China.

Nature communications

|February 13, 2024

概括

研究人员开发了一种新的双功能电催化剂,在碳化上使用单个原子,在水分裂中实现氧和进化反应的高效率. 这种催化剂设计为高效的水电解提供了一个新的策略. 关键词:双功能电催化剂,水分裂,单原子催化剂,碳化.

科学领域:

材料科学材料科学材料科学
电化学电化学电化学
催化剂是一种催化剂.

背景情况:

设计高效的双功能单原子电催化剂用于工业水分是具有挑战性的.
了解这些电催化剂的复杂催化机制对于进一步开发至关重要.

研究的目的:

报道了一种新的Ni单原子电催化剂,支持含氧Mo2C.
为了研究氧进化反应 (OER) 和进化反应 (HER) 的双功能活性.
通过in-situ/ex-situ表征和理论计算来阐明催化机制.

主要方法:

Ni单个原子的合成在氧化合的Mo2C上得到支持.
现场同步龙X射线吸收光谱和电子显微镜.
密度函数理论 (DFT) 的计算.

主要成果:

单原子Ni催化剂对OER和HER都表现出高的双功能活性.
在保持原子分散的同时, HER 促进了改变的 Ni-O 和 Ni-Mo 键.
OER导致Ni聚合成具有新的Ni-Ni键的集群,失去原子分散.

结论:

Mo2C的氧化状态和单原子Ni的配置对于HER和OER的性能至关重要.
本研究提出了一个可行的策略和模型,用于设计水电解的高效电催化剂.
这些发现有助于更深入地了解水分裂中的单原子催化剂机制.

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