Reverse Monte Carlo analysis of the structure of glassy carbon using electron-microscopy data

The reverse Monte Carlo (RMC) method was utilized in order to obtain three-dimensional atom configurations in glassy carbon using measurements of the static structure provided by electron diffraction. This allowed the local and medium-range order in glassy carbon formed at heat-treatment temperatures of 1000 and 2500 degrees C to be analyzed in detail. In particular, the nature of the graphitelike bonding within the glassy-carbon structure was investigated as well as the form of disorder that gives rise to the particular features of its static structure factor. The configurations produced by the RMC method consisted of randomly stacked graphitic basal planes possessing a buckled nature. It was found that significant nongraphitic regions exist in glassy carbon including the presence of three- and five-membered rings. These disordered regions decrease in extent as the heat-treatment temperature increases.