A high-entropy liquid metal alloy (Ga-Fe-Zn-Sn-Bi-Ni) is developed to address the multi-step complexity of green ammonia electrosynthesis from nitrate. Guided by molecular dynamics, design of experiments, and density functional theory, this alloy exploits high configurational entropy to form diverse, atomically dispersed active sites. The liquid state eliminates endothermic barriers by enabling nitrogen intermediates to move freely to the most energetically favorable sites. Crucially, a hydrogen shuttling mechanism is uncovered where Fe acts as a proton hub while Sn, Ni, and Zn store and transfer hydrogen to Fe, enhancing reaction kinetics and preventing catalyst saturation. This synergy boosts ammonia production rates up to sevenfold while maintaining high Faradaic efficiency (FE). By integrating entropy-driven design, dynamic site reconfiguration, and hydrogen management, this work establishes a robust foundation for efficient, scalable ammonia electrosynthesis in pursuit of NetZero targets.
WOS:001510393000001
40530548
University of New South Wales Sydney
University of New South Wales Sydney
University of New South Wales Sydney
Royal Melbourne Institute of Technology (RMIT)
University of Sydney
École Polytechnique Fédérale de Lausanne
University of New South Wales Sydney
University of New South Wales Sydney
2025-06-17
REVIEWED
EPFL
Funder | Funding(s) | Grant Number | Grant URL |
Australian Research Council | FT230100396 | ||
Australian Research Council | DE210101259 | ||
Australian Research Council | |||
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