Effect of the deflection strain on the atomic and electronic structure of a graphene nanoparticle

The results of numerical simulation of the deflection strain of a graphene nanoparticle 36.9 $\mathring{\mathrm{A}}$ long and 41.18 $\mathring{\mathrm{A}}$ wide are presented. The nanoparticle is deflected by nanoindentation. A platinum pyramid with the face-centered cubic lattice is considered as an atomic-force microscope tip. It is found that the graphene nanoparticle withstands a force of 437.83 nN, and its tensile strength is 126 GPa. It is shown that the nanoparticle deflection improves its emission properties. The particle conductivity remains almost unchanged with increasing deflection. The maximum $\pi$-electron shell overlap and the significant redistribution of the electron charge density are characteristic of atoms of the graphene nanoparticle with the largest curvature.