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    题名: 二硫化鉬奈米帶與其混合結構
    The armchair MoS2 nanoribbon and its composites
    作者: 林之怡
    Lin, Joy
    贡献者: 楊志開
    Yang, Chih-Kai
    林之怡
    Lin, Joy
    关键词: 二硫化鉬奈米帶
    MoS2 nanoribbon
    日期: 2017
    上传时间: 2017-03-01 17:14:33 (UTC+8)
    摘要: 2004年石墨烯的發現是二維（2D）材料發展的關鍵性時刻。近年來，由於從2D材料出現的新性質和應用，許多非石墨烯層狀材料也成為重要的研究課題。
    在本論文中，我們利用密度泛函理論（DFT）進行了對二硫化鉬奈米帶與其加上各種原子鏈的混合結構做了各種研究如結構，電子性質，能帶隙，局部電子態密度（LDOS）和磁化的性質。從我們的研究發現，二硫化鉬與不同的原子鏈混合時會改變原本的半導體性質,而有半金屬和導體的性質出現.
    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.
    參考文獻: [1] K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang,S. V. Dubonos, I.
    V. Grigorieva and A. A. Firsov. Science. 2004, 306 ,666-669.
    [2] Jiangang He, Kechen Wu, Rongjian Sa, Qiaohong Li, and Yongqin Wei Appl. Phys.
    Lett.. 2010, 96 ,082504.
    [3] Paul Ziesche, Stefan Kurth, John P. Perdew.Computational Materials Science. 1998,
    11 ,122–127.
    [4] K. S. Novoselov, A. Mishchenko, A. Carvalho and A. H. Castro Neto.Science. 2016,
    353 ,9439.
    [5] Ganesh R. Bhimanapati,Zhong Lin,Vincent Meunier,Yeonwoong Jung,Judy
    Cha,Saptarshi Das,Di Xiao, Youngwoo Son, Michael S. Strano,Valentino R.
    Cooper,Liangbo Liang, Steven G. Louie,Emilie Ringe, Wu Zhou, Steve S. Kim,
    Rajesh R. Naik, Bobby G. Sumpter, Humberto Terrones, Fengnian Xia, Yeliang
    Wang, Jun Zhu, Deji Akinwande, Nasim Alem, Jon A. Schuller, Raymond E.
    Schaak,Mauricio Terrones, and Joshua A. Robinson.ACSNANO.2015,12,11509 –
    11539.
    [6] C. Ataca, H. S-ahin,E. Akturk,and S. Ciraci.J. Phys. Chem. C. 2011, 115 ,3934–
    3941.
    [7] Yafei Li,Zhen Zhou, Shengbai Zhang, and Zhongfang Chen.J. AM. CHEM. SOC..
    2008, 130 ,316739–16744.
    [8] Yanzong Wang, Baolin Wang, Rui Huang, Benling Gao, Fanjie Kong,Qinfang
    Zhang.Physica E..2014,63,276-282
    [9] Ferdows Zahid, Lei Liu, Yu Zhu, Jian Wang, and Hong Guo.AIP ADVANCES2013,3,052111
    [10] Z. Y. Zhu, Y. C. Cheng, and U. Schwingenschlögl. PHYSICAL REVIEW.
    2011,84,153402
    [11] Kresse, G., Hafner,J. PHYSICAL REVIEW B..1993,47,558
    [12] Blochl,P.E. PHYSICAL REVIEW B..1994,50,17953
    [13] Perdew, J. P., Chevary, J. A., Vosko, S. H., Jackson, K. A., Pederson,M. R., Singh,
    D. J., Fiolhais, C. PHYSICAL REVIEW B..1992,46,6671
    描述: 碩士
    國立政治大學
    應用物理研究所
    103755007
    資料來源: http://thesis.lib.nccu.edu.tw/record/#G0103755007
    数据类型: thesis
    显示于类别:[應用物理研究所 ] 學位論文

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