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Fabrication of Three-Dimensional Graphene-Based Polyhedrons via Origami-Like Self-Folding

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Finding Stable Graphene Conformations from Pull and Release Experiments with Molecular Dynamics.

Ruslan D Yamaletdinov^1,2, Yuriy V Pershin^1,3

¹Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk 630090, Russia.

Scientific Reports

|February 15, 2017

Summary

This summary is machine-generated.

Stable graphene nanoribbon conformations are found using pull and release experiments. This method reveals folding probabilities and identifies ground states dependent on nanoribbon length for new material fabrication.

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Area of Science:

Materials Science
Condensed Matter Physics
Nanotechnology

Background:

Graphene nanoribbons (GNRs) are promising materials for nanoelectronic devices.
Controlling the stable conformations of GNRs is crucial for their application.
Understanding GNR folding mechanisms is essential for advanced material design.

Purpose of the Study:

To demonstrate a method for identifying stable conformations of graphene nanoribbons.
To investigate the folding behavior of GNRs under specific experimental conditions.
To determine the influence of temperature and nanoribbon length on folding.

Main Methods:

Utilizing pull and release experiments to induce and observe GNR conformations.
Employing molecular dynamics simulations to numerically analyze the folding process.
Calculating transition probabilities to various folded states at finite temperatures.

Main Results:

Stable folded conformations of graphene nanoribbons can be achieved through pull and release.
The folding process is probabilistic at finite temperatures.
The ground state conformation of GNRs is dependent on their length.

Conclusions:

The pull and release method offers a viable approach for studying and controlling GNR folding.
This technique has potential applications in the theoretical study and fabrication of novel materials.
The findings contribute to the understanding of nanoribbon behavior and emergent material structures.