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Updated: Jan 16, 2026

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
Quantitative and mechanistic insights into proton dynamics for fast energy storage
Ziyue Li1, Yuxiao Lin2, Mounesha N Garaga3
1College of Smart Materials and Future Energy, Fudan University, Shanghai, People's Republic of China.
None:
Proton conduction in hydrogen-bond-rich protic electrolytes enables fast mass and charge transport, crucial for electrochemical energy storage and power conversion. Such transport can give proton-based batteries exceptional rate capability and low-temperature operation beyond other working ions. Here we show that in phosphoric acid (H3PO4) electrolytes, vehicular and structural proton transport coexist, and their contributions to conductivity can be quantitatively distinguished. We link structural diffusion directly to hydrogen-bond strength, enabling the precise tuning of proton migration. Guided by this, we reveal a double conductivity peak from regulated structural diffusion. The optimal electrolyte (5.8-M H3PO4) achieves high overall (232.9 mS cm-1) and structural (164.9 mS cm-1) conductivity. A MoO3‖CuFe-TBA battery with this electrolyte outperforms a deep-eutectic benchmark (8.3-M H3PO4), delivering >17,474 W kg-1 at room temperature and retaining 15.1 Wh kg-1 at -75 °C. These findings provide a framework for designing advanced protic electrolytes across electrochemical systems.
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