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

Density Functional Based Tight Binding (DFTB) Study on the Thermal Evolution of Amorphous Carbon
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摘要 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. 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.
作者 Chung-Kiak Poh Han-Ping D. Shieh Chung-Kiak Poh;Han-Ping D. Shieh(Department of Photonics and Display Institute, National Chiao Tung University, Taiwan)
出处 《Graphene》 2016年第2期51-54,共4页 石墨烯(英文)
关键词 Diamond-Like Carbon GRAPHENE DFTB Fiber Structure CLUSTER Molecular Dynamics Diamond-Like Carbon Graphene DFTB Fiber Structure Cluster Molecular Dynamics
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