English  |  正體中文  |  简体中文  |  Post-Print筆數 : 27 |  Items with full text/Total items : 109948/140897 (78%)
Visitors : 46083298      Online Users : 1261
RC Version 6.0 © Powered By DSPACE, MIT. Enhanced by NTU Library IR team.
Scope Tips:
  • please add "double quotation mark" for query phrases to get precise results
  • please goto advance search for comprehansive author search
  • Adv. Search
    HomeLoginUploadHelpAboutAdminister Goto mobile version
    Please use this identifier to cite or link to this item: https://nccur.lib.nccu.edu.tw/handle/140.119/112208


    Title: 石墨烷與二硫化鉬奈米帶之過渡金屬鏈
    Transition-Metal Chains on Graphane and MoS2 Nanoribbons
    Authors: 顏志豪
    Yen, Chi Hao
    Contributors: 楊志開
    Yang, Chih Kai
    顏志豪
    Yen, Chi Hao
    Keywords: 二硫化鉬
    石墨烷
    第一類過渡金屬
    Molybdenum Disulfide
    Graphane
    The first type of transition metal
    Date: 2017
    Issue Date: 2017-08-28 11:42:04 (UTC+8)
    Abstract: 二維層狀材料在層數為原子尺寸的結構,其特徵由垂直二維平面的方向看原子排列呈現六角形蜂巢結構,此類材料有過渡金屬硫化物以及族碳的同素異形體石墨烯等,在本論文中所選擇的材料是二硫化鉬與石墨烷,二維材料二硫化鉬MoS2以 ,二維材料依照裁切方向的不同,可分為一維鋸齒奈米帶(1D zigzag nanoribbon)以及一維扶手椅奈米帶(1D armchair nanoribbon)。
    將二維的二硫化鉬裁切成數個不同寬度的一維扶手椅奈米帶(1D armchair nanoribbon),然後在奈米帶元素鉬位置的上方加入第一類過渡金屬,由於過渡金屬有3d軌域的電子,所以分析對不同寬度奈米帶的磁性以及能帶性質。
    接著將二維的石墨烷裁切成一維鋸齒奈米帶(1D zigzag nanoribbon),根據拔除的氫鏈導致磁性變化,然後在被拔除氫鏈範圍內的六角蜂巢結構的中心處加入第一類過渡金屬,分析對拔除氫鏈的石墨烷磁性以及能帶性質的影響,以上兩種材料奈米帶分析,使用第一原理計算磁性和能帶以及局部電子態密度。
    Reference: [1] K. S. Novoselov,; A. K. Geim,; S. V. Morozov,; D. Jiang,; Y. Zhang ,; S. V. Dubonos,; I. V. Grigorieva,; A. A. Firsov, ” Electric Field Effect in Atomically Thin Carbon Films” Science. 22;306(5696):666-9 (2004)
    [2] L. Pisani, J. A. Chan, B. Montanari, and N. M. Harrison ,’’ Electronic structure and magnetic properties of graphitic ribbons’’ Phys. Rev. B 75, 064418 (2007)
    [3] Kyoko Nakada, Mitsutaka Fujita, Gene Dresselhaus, and Mildred S. Dresselhaus ,’’ Edge state in graphene ribbons: Nanometer size effect and edge shape dependence’’ Phys. Rev. B 54, 17954 (1996)
    [4] Jorge O. Sofo, Ajay S. Chaudhari, and Greg D. Barber ,’’ Graphane: a two-dimensional hydrocarbon’’ Phys. Rev. B 75, 153401 (2007)
    [5] C. K. Yang,’’Graphane with defect or transition-metal impurity’’ CarbonVolume 48, Issue 13, Pages 3901–3905 (2010)
    [6] Bi-Ru Wu and Chih-Kai Yang ,’’ Electronic structures of graphane with vacancies and graphene adsorbed with fluorine atoms’’ AIP Advances 2, 012173 (2012)
    [7] Bi-Ru Wu and Chih-Kai Yang ,’’ Energy band
    modulation of graphane by hydrogen-vacancy chains: A first-principles study’’AIP Advances 4, 087129 (2014)
    [8] 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,’’ Recent Advances in Two-Dimensional Materials beyond Graphene’’ACSNANO,12,11509-11539(2015)
    [9] Jiangang He, Kechen Wu, Rongjian Sa, Qiaohong Li, and Yongqin Wei View Affiliations ,’’ Magnetic properties of nonmetal atoms absorbed MoS2monolayers’’ Appl. Phys. Lett. 96, 082504 (2010)
    [10] Ferdows Zahid , Lei Liu, Yu Zhu, Jian Wang, and Hong Guo,’’A generic tight-binding model for monolayer, bilayer and bulk MoS2’’ AIP Advances 3, 052111 (2013)
    [11] Z. Y. Zhu, Y. C. Cheng, U. Schwingenschl, ’’ Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors’’Phys. Rev. B 84, 153402 (2011)
    [12] Yafei Li, Zhen Zhou, Shengbai Zhang, and Zhongfang Chen ,’’MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties’’J. AM. CHEM. SOC, 130, 16739–16744(2008)
    [13] Jiahao Kang, Wei Liu, Deblina Sarkar, Debdeep Jena, and Kaustav Banerjee ,’’Computational Study of Metal Contacts to Monolayer Transition-Metal Dichalcogenide Semiconductors’’Phys.Rev.X 4,031005(2014)
    [14] Héctor González-Herrero, José M. Gómez-Rodríguez, Pierre Mallet, Mohamed Moaied, Juan José Palacios, Carlos Salgado, Miguel M. Ugeda, Jean-Yves Veuillen, Félix Yndurain, Iván Brihuega ,’’ Atomic-scale control of graphene magnetism byusing hydrogen atoms’’ Science. 22 APRIL• VOL 352 ISSUE 6284(2016)
    [15] W. Kohn and L. J. Sham,’’ Self-Consistent Equations Including Exchange and Correlation Effects’’Phys. Rev. 140 A1133 (1965)
    [16] P. Hohenberg and W. Kohn,’’Inhomogeneous Electron Gas’’Phys. Rev. 136, B864 (1964)
    [17] G. Kresse and J. Hafner,’’Ab.initio molecular dynamics for liquid metals ’’Phys. Rev. B 47,558(1993)
    [18] P. E. Blochl,’’Projector augmented-wave method’’Phys. Rev. B 50,17953(1994)
    [19] Paul Ziesche , Stefan Kurth b, John P. Perdew ,’’Density functionals from LDA to GGA’’Computational Materials Science 11 ,122–127(1998)
    Description: 碩士
    國立政治大學
    應用物理研究所
    103755012
    Source URI: http://thesis.lib.nccu.edu.tw/record/#G0103755012
    Data Type: thesis
    Appears in Collections:[應用物理研究所 ] 學位論文

    Files in This Item:

    File SizeFormat
    501201.pdf9200KbAdobe PDF2467View/Open


    All items in 政大典藏 are protected by copyright, with all rights reserved.


    社群 sharing

    著作權政策宣告 Copyright Announcement
    1.本網站之數位內容為國立政治大學所收錄之機構典藏,無償提供學術研究與公眾教育等公益性使用,惟仍請適度,合理使用本網站之內容,以尊重著作權人之權益。商業上之利用,則請先取得著作權人之授權。
    The digital content of this website is part of National Chengchi University Institutional Repository. It provides free access to academic research and public education for non-commercial use. Please utilize it in a proper and reasonable manner and respect the rights of copyright owners. For commercial use, please obtain authorization from the copyright owner in advance.

    2.本網站之製作,已盡力防止侵害著作權人之權益,如仍發現本網站之數位內容有侵害著作權人權益情事者,請權利人通知本網站維護人員(nccur@nccu.edu.tw),維護人員將立即採取移除該數位著作等補救措施。
    NCCU Institutional Repository is made to protect the interests of copyright owners. If you believe that any material on the website infringes copyright, please contact our staff(nccur@nccu.edu.tw). We will remove the work from the repository and investigate your claim.
    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library IR team Copyright ©   - Feedback