• Number 319  |
• August 30, 2010

Simulations pick apart graphene mystery

Nanoscale simulations and theoretical research performed at DOE's Oak Ridge National Laboratory are bringing scientists closer to realizing graphene's potential in electronic applications.

A research team at ORNL's Center for Nanophase Materials Sciences has discovered how loops develop in graphene, an electrically conductive high-strength, low-weight material that resembles an atomic-scale honeycomb.

Structural loops that sometimes form during a graphene cleaning process can render the material unsuitable for electronic applications. Overcoming these types of problems is of great interest to the electronics industry.

The team used quantum molecular dynamics to simulate an experimental graphene cleaning process, as discussed in a paper published in Physical Review Letters. Calculations performed on ORNL supercomputers pointed the researchers to an overlooked intermediate step during processing.

[Morgan McCorkle, 865.574.7308,
mccorkleml@ornl.gov]