Lithiation of ZnO nanowires studied by in-situ transmission electron microscopy and theoretical analysis

摘要: Transition-metal oxides constitute an important family of high-capacity anodes for Li-ion batteries. ZnO is a model material due to the high theoretical capacity and its representative reaction mechanism upon lithiation. We investigate structural evolution, mechanical degradation, stress-regulated electrochemical reactions nanowires during first lithiation through coordinated in-situ transmission electron microcopy experiments, continuum theories, first-principles computation. Lithiation induces field stress in nanowires. The mediates breaks planar solid-state front into curved interface. tensile lithiated shell causes surface fracture basal plane compressive unlithiated core retards local results uneven on given plane. also observe that metallic Zn nanoparticles aggregate amorphous matrix products. At critical size, impede propagation thermodynamically unfavorable reaction. provide fundamental perspectives chemomechanical behaviors next-generation