A controlled nucleation and growth of Si nanowires by using a TiN diffusion barrier layer for lithium-ion batteries.

Uniform size of Si nanowires (NWs) is highly desirable to enhance the performance of Si NW-based lithium-ion batteries. To achieve a narrow size distribution of Si NWs, the formation of bulk-like Si structures such as islands and chunks needs to be inhibited during nucleation and growth of Si NWs. We developed a simple approach to control the nucleation of Si NWs interfacial energy tuning between metal catalysts and substrates by introducing a conductive diffusion barrier. Owing to the high interfacial energy between Au and TiN, agglomeration of Au nanoparticle catalysts was restrained on a TiN layer which induced the formation of small Au nanoparticle catalysts on TiN-coated substrates. The resulting Au catalysts led to the nucleation and growth of Si NWs on the TiN layer with higher number density and direct integration of the Si NWs onto current collectors without the formation of bulk-like Si structures. The lithium-ion battery anodes based on Si NWs grown on TiN-coated current collectors showed improved specific gravimetric capacities (>30%) for various charging rates and enhanced capacity retention up to 500 cycles of charging-discharging.