抄録
Offer Organization: Japan Society for the Promotion of Science, System Name: Grants-in-Aid for Scientific Research, Category: Grant-in-Aid for Scientific Research (B), Fund Type: -, Overall Grant Amount: - (direct: 5500000, indirect: 1650000)
The compression response characteristics of graphene/C60/graphene interface nanostructures was discussed. First, we focused on the compressive properties of the nanostructure in which a single C60 molecule is sandwiched between graphene sheets. Comparing the effective spring constant of the entire interface system with those of single C60 and of C60-graphene interlayer, it was clarified that the C60/graphene interface system can be regarded as a series spring of C60 single molecule spring and C60-graphene interlayer spring. Next, we focused on the graphene sheet, which is a component of the interface structure, and we developed an effective potential function that coarse-grained the Tersoff potential function, which represents a covalent bond. As a result, we succeeded in increasing the calculation speed of graphene adhesion to 10,000 times that of the conventional Tersoff function.