Sub-angstrom strain in high-entropy intermetallic boosts the oxygen reduction reaction in fuel cell cathodes

Zhao, Xueru; Cheng, Hao; Wu, Lijun; Zhang, Qi; Chen, Xiaobo; Marinkovic, Nebojsa; Li, Chenzhao; Tan, Sha; Hu, Enyuan; Ma, Lu; Zhu, Yimei; Xie, Jian; Sasaki, Kotaro

doi:10.1038/s41467-025-62725-7

Title: Sub-angstrom strain in high-entropy intermetallic boosts the oxygen reduction reaction in fuel cell cathodes

Journal Article · Wed Aug 13 20:00:00 EDT 2025 · Nature Communications

DOI: https://doi.org/10.1038/s41467-025-62725-7 · OSTI ID:2589742

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Brookhaven National Laboratory (BNL), Upton, NY (United States)
Hong Kong Polytechnic Univ., Kowloon (Hong Kong)
Purdue Univ., West Lafayette, IN (United States)
State Univ. of New York (SUNY), Binghamton, NY (United States)
Columbia Univ., New York, NY (United States)
Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)

The strain effect of high-entropy intermetallic (HEI) catalysts on oxygen reduction reaction (ORR) performance remains largely unexplored, primarily due to the significant challenges associated with characterizing and calculating the intricate local coordination environments. Here, we design a nitrogen (N)-doped L1₀-ordered PtCoNiFeCu intermetallic catalyst supported on Ketjenblack carbon (N-HEI/KB), and reveal the origin of the sub-angstrom strain in N-HEI and its impact on ORR performance by combining atomic-scale characterization and theoretical calculations. The synergistic interplay of the sub-angstrom strain, the pinning effect of metal-N bonds, and the high-entropy effect contribute to the competitive stability of N-HEI/KB catalysts, providing high current density of 1388 mA cm^-2 at 0.7 V after 90,000 cycles even under harsh heavy-duty vehicle conditions. These findings broaden the avenues for designing high-performance high-entropy intermetallic cathode electrocatalysts.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Hydrogen Fuel Cell Technologies Office (HFTO); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (VTO). Advanced Battery Materials Research Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: EE0008076; EE0008417; SC0012704

OSTI ID:: 2589742

Report Number(s):: BNL--228960-2025-JAAM

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 16; ISSN 2041-1723

Publisher:: Springer Science and Business Media LLCCopyright Statement

Country of Publication:: United States

Language:: English

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