锂离子电池锡镍合金负极材料的性能研究

采用基于密度泛函理论的第一性原理平面波赝势方法计算了Sn-Ni合金中2种稳定相结构的物理性质和电化学性质.结果表明:Ni3Sn2具有相对稳定的电化学电位,Ni3Sn4具有波动性电化学电位.同时运用电化学沉积制备了Sn-Ni合金负极材料,测试结果标明Ni3Sn4具有优异的电化学性能,是适合用作锂离子电池的理想结构材料.

The properties study of Sn/Ni alloy as anode materials for Li-ion batteries

An ab initio method with the first-principles plane-wave pseudopotentials based on the density functional theory has been used to calculate the physical character and electrochemical performance of various alloy phases in Sn-Ni alloy. The result shows that Ni_3Sn_2 alloy phase has stable electrochemical voltage. But Ni_3Sn_4 alloy phase has fluctuation electrochemical voltage compared with other phases. Meanwhile, a series of Ni-Sn alloys prepared by electrodeposition, and the performances of the alloys as the anode for lithium ion battery were tested with charge and discharge equipment. The result shows that Ni_3Sn_4 alloy phase has optimized electrochemical performance, and is the best structural materials for lithium ion battery.