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Graphene  2016 

Density Functional Based Tight Binding (DFTB) Study on the Thermal Evolution of Amorphous Carbon

DOI: 10.4236/graphene.2016.52006, PP. 51-54

Keywords: Diamond-Like Carbon, Graphene, DFTB, Fiber Structure, Cluster, Molecular Dynamics

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Abstract:

Density functional based tight binding (DFTB) model is employed to study the sp3-to-sp2 transformation of diamond-like carbon at elevated temperatures. The understanding could lead to the direct-growth of graphene on a wide variety of substrates.

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