Self-assembly is a process to form the highly ordered spatial structure consisted by the basic structure unit without manual intervention. Due to large specific surface area, the 3D self-assembled nano-function materials have excellent catalytic and photoeletrochemical performance. It has been one of the research hotspots of nanomaterial preparation. Therefore, the main preparation methods of 3D self-assembled nano-function material have been reviewed, including the hydrothermal/solvothermal method, template method, external-field-induced method and so on.