Nanomaterial refers to the basic unit of the material in three dimensions, at least one dimension size in the range of 1–100 nm. Nanomaterials can be divided into four categories according to dimension: zero-dimensional, one-dimensional, two-dimensional, and three-dimensional nanomaterials. Considering the pore structure and cavity structure, nanomaterials can also be divided into three categories: solid, porous, and hollow nanomaterials. In terms of composition, nanomaterials can further be divided into two categories: single component and composite nanomaterials; From the perspective of size, nanomaterials can be further extended to subnanoscale (0.1–1 nm) atomically dispersed subnanomaterials (including single atom and atomic cluster). Nanomaterials with different dimensional or nanoscale structures often show different specific surface areas, active sites, and reactivities. The structural regulation of nanomaterials has become a hot spot in the field of energy and environment.