Heterogeneous Interface-Derived Engineered Electronic Structure of SiO with Enhanced Lithium Storage

Constructing a heterogenous structure has always been one of the effective strategies to improve the electrochemical performance of anode materials for lithium-ion batteries (LIBs). As a semiconductor material, wide band gaps and high charge transfer resistance of SiO greatly affect the electron conduction and ion diffusion during lithium storage. Unfortunately, few studies have focused on SiO-based heterogenous interface engineering to improve its battery performance. In this work, a simple chemical vapor deposition strategy is utilized to fabricate Se-coated m-SiO (m-SiO@Se) as an anode for LIBs. Combining first-principles calculations and experimental results, it is revealed that the heterogenous interface formed between SiO and Se is highly functional in optimizing the energy band structure and promoting the Li+ diffusion kinetics, which boost electron and ion conduction of SiO with enhanced lithium storage. This research provides a reliable direction and theoretical support for the future development of interface engineering in electrochemical energy storage.