▎ 摘　　要

For the interpretation of noncontact atomic force microscopy (NC-AFM) images of large organic molecules on a substrate, the effect of the sliding movement and deformation of the molecules caused by the tip should be properly taken into account. In the present work, we attempted to clarify this problem by taking a case study of NC-AFM for a 5-(4-methylthiophenyl)-10,15,20-tris(3,5-di-t-butylphenyl)porphyrin molecule (MSTBPP) on a graphene sheet with a fullerene (C(60)) molecule tip or an octane (C(8)H(18)) molecule tip. Theoretical simulations and detailed interpretation of NC-AFM images for these systems are presented. When the MSTBPP molecule is fixed on a substrate surface, simulated images in attractive force regions are similar to an experimental image. When the molecule is not fixed or simulated in a repulsive force region, the atomic force microscopy image is difficult to observe because of the translational and deformation movements of the molecule. On the other hand, a significant energy dissipation can be seen. The motion of the molecule also depends on the volume and the shape of the tips.