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Multistability of graphene nanobubbles.

Alexander V Savin1,2

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Graphene nanobubbles exhibit multiple stable states based on encapsulated atom layers. The commonly observed aspect ratio is only valid for ground states, not all configurations.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Nanotechnology

Background:

  • Graphene nanobubbles are formed by encapsulating atoms within a graphene sheet on a substrate.
  • The behavior and stability of these nanostructures are crucial for understanding their potential applications.

Purpose of the Study:

  • To investigate the multistability of graphene nanobubbles using noble gas atoms as a model system.
  • To determine the factors influencing the structural configurations and stability of nanobubbles.
  • To analyze the impact of temperature and pressure on nanobubble states.

Main Methods:

  • Utilized noble gas atoms (He, Ne, Ar, Kr, Xe) as a model system for simulations.
  • Performed numerical simulations of thermal vibrations to study nanobubble dynamics.
  • Analyzed the effect of varying numbers of encapsulated atoms (N) on layer formation (l).

Main Results:

  • Graphene nanobubbles are multistable systems, with stable states characterized by the number of encapsulated atom layers (l).
  • The maximum number of layers (l_m) increases with the number of atoms (N), reaching l_m=6 for N=4000.
  • Internal pressures reach ~1 GPa due to graphene membrane compression.
  • A ground state always exists, transitioning to a liquid state upon heating; other states transform to the ground state at characteristic temperatures (T_l).
  • For N=4000, the ground state is the four-layer packing (l=4).
  • Nanobubble shape (H/R ratio) is not universal, varying from 0 to 0.28, with H/R ~ 0.2 specific to ground states.
  • External hydrostatic pressure does not alter multistability but can induce crystallization, decreasing the H/R ratio.

Conclusions:

  • Graphene nanobubbles exhibit complex multistability dependent on encapsulated atom configurations.
  • The observed structural diversity challenges the notion of a universal nanobubble shape.
  • Understanding these states is key for controlling nanobubble properties in potential applications.