Atomistic simulations of temperature-induced switchable morphology in graphene nanodrum

Y Chen and ZR Guo and TC Chang, COMPUTATIONAL MATERIALS SCIENCE, 222, 112102 (2023).

DOI: 10.1016/j.commatsci.2023.112102

Graphene suspended on a solid surface over a nanochamber can form a nanodrum structure, which has been used in various applications. Here, using molecular dynamics, we demonstrate that temperature can greatly alter the morphology of the graphene of the nanodrum. In particular, a critical temperature determines whether the graphene is attracted inside the nanochamber or suspended on it. The underlying mechanism for this phenomenon is the competition among the adhesion energy, the strain energy and the entropy energy. We also find that the critical temperature increases linearly with the radius of the circular nanochamber. The results show how critical temperatures depend on the size of the nanochamber. The temperature-induced switch -able morphology in graphene nanodrum provides opportunities for the development of thermal-controlled nanoswitches.

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