Scholtzov√°, E., L. T. Nagy, et al. (2001). "Modeling of nontraditional structures of carbon." Journal of Chemical Information and Computer Sciences 41(2): 451-456.

The present contribution deals with one of the possible structure types of nongraphitic carbon adsorbents. The proposed structure consists of infinite strips of condensed aromatic rings arranged into a hexagonal honeycomb-like structure with the edge formed only by sp2 carbon atoms. Quantum chemical calculations were performed at the UHF/STO-3G level using the CRYSTAL95 program package for periodical approach. The extremely high adsorption ability of some low-density paramagnetic carbon forms can be elucidated by the presence of the sp2 honeycomb carbon structure and the specific properties of its electronic structure.

http://dx.doi.org/10.1021/ci0001132