Atomic-precision Pt6 nanoclusters for enhanced hydrogen electro-oxidation

Xiaoning Wang, Lianming Zhao, Xuejin Li, Yong Liu, Yesheng Wang, Qiaofeng Yao, Jianping Xie, Qingzhong Xue, Zifeng Yan, Xun Yuan () and Wei Xing ()
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Xiaoning Wang: China University of Petroleum
Lianming Zhao: China University of Petroleum
Xuejin Li: China University of Petroleum
Yong Liu: Qingdao University of Science and Technology
Yesheng Wang: China University of Petroleum
Qiaofeng Yao: National University of Singapore
Jianping Xie: National University of Singapore
Qingzhong Xue: China University of Petroleum
Zifeng Yan: China University of Petroleum
Xun Yuan: Qingdao University of Science and Technology
Wei Xing: China University of Petroleum

Nature Communications, 2022, vol. 13, issue 1, 1-10

Abstract: Abstract The discord between the insufficient abundance and the excellent electrocatalytic activity of Pt urgently requires its atomic-level engineering for minimal Pt dosage yet maximized electrocatalytic performance. Here we report the design of ultrasmall triphenylphosphine-stabilized Pt6 nanoclusters for electrocatalytic hydrogen oxidation reaction in alkaline solution. Benefiting from the self-optimized ligand effect and atomic-precision structure, the nanocluster electrocatalyst demonstrates a high mass activity, a high stability, and outperforms both Pt single atoms and Pt nanoparticle analogues, uncovering an unexpected size optimization principle for designing Pt electrocatalysts. Moreover, the nanocluster electrocatalyst delivers a high CO-tolerant ability that conventional Pt/C catalyst lacks. Theoretical calculations confirm that the enhanced electrocatalytic performance is attributable to the bifold effects of the triphenylphosphine ligand, which can not only tune the formation of atomically precise platinum nanoclusters, but also shift the d-band center of Pt atoms for favorable adsorption kinetics of *H, *OH, and CO.

Date: 2022
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DOI: 10.1038/s41467-022-29276-7

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