High-entropy alloy (HEA) anodes represent a paradigm shift in multivalent ion battery technology by offering exceptional structural stability and tunable electrochemical properties. For instance, HEAs like TiVZrNbHf have demonstrated reversible capacities of >300 mAh/g for Mg²⁺ ion storage at current densities of 0.1 A/g. The unique multi-principal element composition of HEAs enables uniform ion distribution and mitigates phase segregation during cycling, leading to enhanced cycle life (>1000 cycles with <20% capacity fade).
The design of HEA anodes leverages computational thermodynamics to predict phase stability and electrochemical performance. Density functional theory (DFT) calculations have identified HEAs with formation energies <0 eV and activation barriers for ion diffusion <0.5 eV, making them ideal for fast-charging applications. Experimental validation has shown that these materials can achieve charge/discharge rates up to 10 C while maintaining high Coulombic efficiencies (>99%).
Surface engineering techniques, such as atomic layer deposition (ALD), have been employed to create conformal oxide coatings (<5 nm thick) on HEA anodes. These coatings enhance interfacial stability and prevent side reactions with electrolytes, particularly in aqueous systems where corrosion is a concern. For example, ALD-coated HEA anodes have exhibited negligible capacity loss after 500 cycles in Mg-ion batteries operating at potentials up to 3 V vs. Mg/Mg²⁺.
The scalability of HEA anodes is being explored through additive manufacturing techniques like selective laser melting (SLM). SLM-produced HEA electrodes have shown comparable electrochemical performance to conventionally fabricated counterparts while enabling complex geometries that optimize ion transport pathways.
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