Surface-Induced Desolvation of Hydronium Ion Enables Anatase TiO2 as an Efficient Anode for Proton Batteries

Hydrogen ion is an attractive charge carrier for energy storage due to its smallest radius. However, hydrogen ions usually exist in the form of hydronium ion (H3O+) because of its high dehydration energy; the choice of electrode materials is thus greatly limited to open frameworks and layered structures with large ionic channels. Here, the desolvation of H3O+ is achieved by using anatase TiO2 as anodes, enabling the H+ intercalation with a strainfree characteristic. Density functional theory calculations show that the desolvation effects are dependent on the facets of anatase TiO2. Anatase TiO2 (001) surface, a highly reactive surface, impels the desolvation of H3O+ into H+. When coupled with a MnO2 cathode, the proton battery delivers a high specific energy of 143.2 Wh/kg at an ultrahigh specific power of 47.9 kW/kg. The modulation of the interactions between ions and electrodes opens new perspectives for battery optimizations.

Automated summary

The study demonstrates the use of anatase TiO2 as an anode to achieve desolvation of H3O+ and enable strain-free intercalation of H+. The different facets of anatase TiO2 have varying effects on desolvation, contributing to increased specific energy and power in proton batteries.