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

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)

机构地区：[1]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）

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.

关 键 词：Diamond-Like Carbon GRAPHENE DFTB Fiber Structure CLUSTER Molecular Dynamics 

分 类 号：TG1[金属学及工艺—金属学]