Unusual Sabatier principle on high entropy alloy catalysts for hydrogen evolution reactions

Zhi Wen Chen, Jian Li, Pengfei Ou, Jianan Erick Huang, Zi Wen, LiXin Chen, Xue Yao, GuangMing Cai, Chun Cheng Yang (), Chandra Veer Singh () and Qing Jiang ()
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Zhi Wen Chen: Key Laboratory of Automobile Materials (Jilin University), Ministry of Education, and School of Materials Science and Engineering, Jilin University
Jian Li: Key Laboratory of Automobile Materials (Jilin University), Ministry of Education, and School of Materials Science and Engineering, Jilin University
Pengfei Ou: University of Toronto
Jianan Erick Huang: University of Toronto
Zi Wen: Key Laboratory of Automobile Materials (Jilin University), Ministry of Education, and School of Materials Science and Engineering, Jilin University
LiXin Chen: University of Toronto; 184 College Street, Suite 140
Xue Yao: University of Toronto; 184 College Street, Suite 140
GuangMing Cai: University of Toronto; 200 College Street
Chun Cheng Yang: Key Laboratory of Automobile Materials (Jilin University), Ministry of Education, and School of Materials Science and Engineering, Jilin University
Chandra Veer Singh: University of Toronto; 184 College Street, Suite 140
Qing Jiang: Key Laboratory of Automobile Materials (Jilin University), Ministry of Education, and School of Materials Science and Engineering, Jilin University

Nature Communications, 2024, vol. 15, issue 1, 1-11

Abstract: Abstract The Sabatier principle is widely explored in heterogeneous catalysis, graphically depicted in volcano plots. The most desirable activity is located at the peak of the volcano, and further advances in activity past this optimum are possible by designing a catalyst that circumvents the limitation entailed by the Sabatier principle. Herein, by density functional theory calculations, we discovered an unusual Sabatier principle on high entropy alloy (HEA) surface, distinguishing the “just right” (ΔGH* = 0 eV) in the Sabatier principle of hydrogen evolution reaction (HER). A new descriptor was proposed to design HEA catalysts for HER. As a proof-of-concept, the synthesized PtFeCoNiCu HEA catalyst endows a high catalytic performance for HER with an overpotential of 10.8 mV at −10 mA cm−2 and 4.6 times higher intrinsic activity over the state-of-the-art Pt/C. Moreover, the unusual Sabatier principle on HEA catalysts can be extended to other catalytic reactions.

Date: 2024
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DOI: 10.1038/s41467-023-44261-4

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