Piezoelectric properties of graphene oxide: A first-principles computational study
Zhenyue Chang, Wenyi Yan, Jin Shang, Jefferson Zhe Liu
Applied Physics Letters | AMER INST PHYSICS | Published : 2014
Some highly ordered compounds of graphene oxide (GO), e.g., the so-called clamped and unzipped GO, are shown to have piezoelectric responses via first-principles density functional calculations. By applying an electric field perpendicular to the GO basal plane, the largest value of in-plane strain and strain piezoelectric coefficient, d are found to be 0.12% and 0.24 pm/V, respectively, which are comparable with those of some advanced piezoelectric materials. An in-depth molecular structural analysis reveals that the deformation of the oxygen doping regions in the clamped GO dominates its overall strain output, whereas the deformation of the regions without oxygen dopant in the unzipped GO ..View full abstract
The authors acknowledge the Engineering Faculty of Monash University for providing a seed grant and acknowledge National Computational Infrastructure at Australian National University and Monash Sun Grid high-performance computing facility for providing the computational resources.