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Open access Oct 2026

Tuning oxygen coordination distance boosts hydrogen evolution of Fe single-atom catalysts

The development of highly active Fe-N-C single-atom catalysts (SACs) for the hydrogen evolution reaction (HER) requires precise tuning of the electronic structure of FeN 4 sites. In this work, using density functional theory calculations, we systematically investigate the effect of O atoms incorporated at different s...

Hui Li, Shao Zhang, Chun-Lei Zuo et al. · 0 citations

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