ZnO@SnO₂ heterojunction hybrid with a novel test-tube brush-like structure is fabricated successfully through a facile hydrothermal approach. Sixfold symmetric epitaxial growth of SnO₂ nanowires on non-polarized planes of ZnO microrods is realized via the approach. The synthesized ZnO@SnO₂ with the unique structure as a lithium-ion battery anode material exhibits enhanced electrochemical properties when compared with the single-phase ZnO microrod and SnO₂ nanowire electrode. The existence of heterostructure on the influence of lithium storage performance is studied by using first-principles calculations through density functional theory method. Experimental and theoretical calculation results demonstrate that the excellent electrochemical performance of the heterojunction hybrid is ascribed to the synergistic effect of the respective components. The construction of ZnO@SnO₂ heterojunctions can not only provide facile Li⁺ kinetics and enhanced ion diffusion, but also improve the mobility rate of electrons and holes by means of the presence of internal electric field.

通过一种简便的水热方法成功地制备了具有新型试管刷状结构的ZnO @ SnO ₂异质结杂化物。通过该方法实现了SnO ₂纳米线在ZnO微棒的非极化平面上的六重对称外延生长。与单相ZnO微棒和SnO ₂相比，具有独特结构的合成ZnO @ SnO ₂作为锂离子电池负极材料具有增强的电化学性能。纳米线电极。通过密度泛函理论方法，通过第一性原理计算，研究了异质结构的存在对锂储能性能的影响。实验和理论计算结果表明，异质结杂化物的优异电化学性能归因于各个组分的协同作用。ZnO @ SnO ₂异质结的构建不仅可以提供便捷的Li ⁺动力学和增强的离子扩散，还可以通过内部电场的存在来提高电子和空穴的迁移率。