| Summary: | 碩士 === 國立政治大學 === 應用物理研究所 === 105 === A new area of two-dimensional (2D) materials started in 2004, when graphene was successfully isolated from graphite. In recent years, there has been lots of research topic focusing on other(non-graphene) layered materials due to the new properties and applications that were found in 2D confinement.
Within this thesis, an ab-initio study of MoS2 nanoribbon with a wide variety of atomic chains deposited on it is performed by utilizing the framework of density functional theory(DFT). Properties like the structural, band gaps, electronic properties, local electronic density of states (LDOS) and magnetization are determined. We have found that depositing atomic chains,the band gap of MoS2 nanoribbons can be engineered, changing the initially semiconductor ribbon into half metallic and conductors.
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