非晶硅薄膜材料的气体氢化行为及其电化学储氢性能研究

探索新型高容量负极电极材料是发展高能量密度镍氢电池的关键和基础。最近研究表明，半导体a-Si:H薄膜作为储氢负极材料可在质子型离子液体中获得高达3635mAh/g的电化学可逆放电容量和较好的循环稳定性。然而，该薄膜电极的放电容量和循环稳定性极大地依赖于a-Si:H薄膜的制备、气体氢化条件以及薄膜电极结构等。本项目以磁控溅射沉积法制备P型a-Si1-xAgx（x=0~0.2）薄膜材料为研究对象，拟采用多种实验和分析方法研究薄膜的沉积条件和气态氢化行为等及其对薄膜的微观结构与表面性质、物化性能以及薄膜电极电化学性能的影响规律和内在联系，以期搞清影响薄膜电极放电容量和循环稳定的关键因素，并对a-Si1-xAgx:H薄膜材料的电化学性能进行调控和优化。本项目工作将丰富和发展新型镍氢电池及其高容量负极材料体系的研究，为研发具有实用价值的高容量和长寿命非晶硅储氢电极材料，奠定坚实的实验及理论基础。

Exploring new high capacity negative electrodes material is the key and foundation for the development of high energy density Ni/MH batteries. Recently，the study has shown that amorphous silicon a-Si:H thin film anode, as a hydrogen storage material, can obtain a reversible electrochemical discharge capacity of up to 3635 mAh/g in proton-type ionic liquids, and shows a certain cycle stability. However, the electrochemical properties of the thin-film electrode, especially the discharge capacity and cycle stability, greatly depend on the preparation of a-Si: H thin-film and the thin-film electrode structures. In this project, P-type a-Si1-xAgx (x=0~0.2) thin film will be prepared by magnetron sputtering deposition method, and a variety of experiments and characterization are used to study deposition conditions, gaseous hydrogenation behavior and their effects on the microstructure (Si-H bonding configuration and hydrogen content), surface property, physic-chemical properties and the electrochemical performance of the thin-film electrode, to explore the relationships between the gas hydrogenation behavior with the structural features and electrochemical performances. Finally, the key factors affecting the discharge capacity and cycle stability of the thin film electrode are clarified in order to optimize and improve the electrochemical hydrogen storage performance. The work of this project will enrich and develop the research of new-type nickel-metal hydride batteries and their high-capacity negative electrodes material systems, and lay a solid experimental and theoretical basis for the development of high-capacity and long-life amorphous silicon hydrogen storage electrode materials with practical value.