Formation of Graphene Networks in Silicon Oxycarbide Ceramics

Reference Presenter Authors
18-029 Peter Kroll Kroll, P.(UT Arlington); Combining structure modeling, ab-initio molecular dynamic simulations, million-atom-simulations, experimental as well as computational NMR studies we explore the structure of SiCO ceramics. We observe distinct stages of structure formation of the “free” carbon phase, which is embedded in and surrounded by the glass network. Isolated carbon units of a molecular precursor are initially well dispersed throughout the material. Upon annealing they combine to larger but finite segregations of single-layered carbon sheets. These carbon segregations separate the surrounding SiCO glass matrix, essentially confining it in small domains. Continuity and sizes of these domains are related to the amount of free carbon and to the composition of the material. Further annealing yields formation of tubular carbon structures, depending on composition and viscosity of the surrounding SiCO glass phase. Ultimately, tubular structures convert into large graphitic segregations.
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