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Tuning the Poisson Ratio of Porous Graphene by Defects

Undergraduate #87
Discipline: Physics
Subcategory: Physics (not Nanoscience)

Jorge Alarcon Ochoa - Rensselaer Polytechnic Institute
Co-Author(s): Humberto Terrones, Rensselaer Polytechnic Institute, Troy, NY.



Schwarzites, negative Gaussian curvature analogs of fullerenes, are made up of sp2-hybridized carbon atoms. The negative Gaussian curvature of Schwarzites is due to the introduction of heptagonal and octagonal rings of carbon in the graphenic lattice. Schwarzites show a rich variety of physical and electronic properties, being semiconductors, insulators or metals, besides of having a high surface area. Using molecular dynamics simulations we have studied the role that Stone-Thrower-Wales (STW) defects have on giant Schwarzites. We have found that up to a given number of STW defects, the Poisson ratio can be decreased to values very close to zero and, in some cases, negative; thus, opening the possibility for novel auxetic materials at the atomic level.

Funder Acknowledgement(s): This work was funded by NSF (EFRI-1433311). The simulations were conducted using the TACC Stampede Supercomputer through the Extreme Science and Engineering Discovery Environment with support from the XSEDE Scholars Program.

Faculty Advisor: Humberto Terrones, terroh@rpi.edu

Role: I carried out the calculations and analysis from molecular dynamics simulation. The Schwarzites were generated by Humberto Terrones.

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This material is based upon work supported by the National Science Foundation (NSF) under Grant No. DUE-1930047. Any opinions, findings, interpretations, conclusions or recommendations expressed in this material are those of its authors and do not represent the views of the AAAS Board of Directors, the Council of AAAS, AAAS’ membership or the National Science Foundation.

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