New hypothetical carbon allotropes of remarkable stability estimated by modified neglect of diatomic overlap solid-state self-consistent field computations

摘要: Alternate allotropes of carbon consisting two dimensional connections triptycyl moieties by benzene rings giving 2D hexagonal nets which are further connected simple bonds were considered. The resulting infinite structures contain a mixture sp{sup 3} and 2} carbons nature. stability specific phases these was estimated using modified neglect diatomic overlap solid-state calculations. is comparable to that diamond. 20 refs., 5 figs., 3 tabs.