Modeling Nanostructure in Graphene Oxide: Inhomogeneity and the Percolation Threshold.

ABSTRACT: Graphene oxide (GO) is an amorphous 2D material, which has found widespread use in the fields of chemistry, physics, and materials science due to its similarity to graphene with the benefit of being far easier to synthesize and process. However, the standard of GO characterization is very poor because its structure is irregular, being sensitive to the preparation method, and it has a propensity to transform due to its reactive nature. Atomistic simulations of GO are common, but the nanostructure in these simulations is often based on little evidence or thought. We have written a computer program to generate graphene oxide nanostructures for general purpose atomistic simulation based on theoretical and experimental evidence. The structures generated offer a significant improvement to the cu

SUBMITTER: Sinclair RC 

PROVIDER: S-EPMC6593394 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature