▎ 摘　　要

Reconfiguring structures in materials is one of the most important building approaches in new material design. The atomically precise control of reconfiguration of two-dimensional (2D) carbon-based materials reshapes their properties for engineering applications. Herein, by employing density functional theory and tight-binding modeling, we reconfigured atomically precise structure in graphene and proposed a new 2D carbon allotrope Theta-graphene. The reconfiguring procedure adopted was realized in experiments using an electron beam. It exhibits semiconductor features with a bandgap of 0.58 eV, and is extendable to semimetal or metal. Mechanically-induced directional-dependent topological node line states are formed and their origin is the breaking of the geometrical symmetry. The reconfiguring procedure reshapes the adsorption and diffusion properties of Theta-graphene, promoting its storage capacities for metal ions (876.65/1275.12/956.34 mA h/g for Li/Na/K- ion batteries) and lowing its metal ion-diffusion energy barriers (