政大機構典藏-National Chengchi University Institutional Repository(NCCUR):Item 140.119/80286

政大機構典藏-National Chengchi University Institutional Repository(NCCUR):Item 140.119/80286

English | 正體中文 | 简体中文 | Post-Print筆數 : 27 | Items with full text/Total items : 113648/144635 (79%)
Visitors : 51569603 Online Users : 897

RC Version 6.0 © Powered By DSPACE, MIT. Enhanced by NTU Library IR team.

Scope

please add "double quotation mark" for query phrases to get precise results

please goto advance search for comprehansive author search

Adv. Search

Home ‧ Login ‧ Upload ‧ Help ‧ About ‧ Administer

Goto mobile version

政大典藏 > College of Science > Graduate Institute of Applied Physics > Theses > Item 140.119/80286

Please use this identifier to cite or link to this item: https://nccur.lib.nccu.edu.tw/handle/140.119/80286

Title:	石墨烷與氮化硼混合奈米帶的電子結構：第一原理計算 Electronic structures of hybrid graphane-boron nitride nanoribbons: A first-principles study
Authors:	曾威華 Tseng, Wei Hua
Contributors:	楊志開 Yang, Chih Kai 曾威華 Tseng, Wei Hua
Keywords:	石墨烯石墨烷氮化硼 Graphene Graphane Boron Nitride
Date:	2015
Issue Date:	2016-01-04 16:52:31 (UTC+8)
Abstract:	少層石墨 (few-layer graphene) 是一個二維系統，層與層之間的作用力為凡德瓦爾力且十分微弱，科學家相信可以將其分離，終於在2004年被分離出來。在單層石墨(single-layer graphene)中，每一個碳原子提供四個電子，其中三個電子以σ鍵連接另外三個碳原子呈蜂巢狀結構，另一個電子形成π鍵貢獻於費米能附近，故石墨屬於無能隙半導體。此外Graphene又可以在其上下交互接氫原子而變成Graphane chair，原來碳原子的π電子和氫原子形成共價鍵，所以變成了絕緣體。另一個類似結構的材料為氮化硼(Boron Nitride，簡稱BN)，是利用3A族的硼原子和5A族的氮原子分別交互取代了石墨中的碳原子。BN的共價性質比石墨來的低，所以能帶差變大，成為不可導電的絕緣體。由單層石墨裁切而成的一維鋸齒狀奈米石墨帶(1D zigzag graphene nanoribbon)具有反鐵磁的穩定結構。另外將若將Graphane上面的氫原子去除掉，其電子性質與磁性將會發生變化。所以我用第一原理計算一維BN連接Graphane材料的導電、磁性和能帶性質，並考慮不同寬度的影響。進一步研究固定同一個長度的Graphane時候，去除線狀(line)和鏈狀(chain)氫原子將會如何改變磁性和能帶性質。
Reference:	[1] Novoselov, K. S.; Geim, A. K.; Morozov, S. V.; Jiang, D.; Zhang, Y.; Dubonos, S. V.; Grigorieva, I. V.; Firsov, A. A. , Science. ;306(5696):666-669 (2004) [2] Kyoko Nakada, Mitsutaka Fujita, Gene Dresselhaus, and Mildred S. Dresselhaus , Phys. Rev. B 54, 17954 (1996) [3] L. Pisani, J. A. Chan, B. Montanari, and N. M. Harrison , Phys. Rev. B 75, 064418 (2007) [4] Jorge O. Sofo, Ajay S. Chaudhari, and Greg D. Barber , Phys. Rev. B 75, 153401 (2007) [5] Chih-Kai Yang , Carbon, 13, 3901–3905 (2010) [6] Haibo Zeng, Chunyi Zhi, Zhuhua Zhang, Xianlong Wei, Xuebin Wang, Wanlin Guo, Yoshio Bando, and Dmitri Golberg , Nano Lett. 10 (12). 5049–5055 (2010) [7] Mark P. Levendorf, Cheol-Joo Kim, Lola Brown, Pinshane Y. Huang, Robin W. Havener, David A. Muller & Jiwoong Park , Nature 488 , 627–632 (2012) [8] Robert Drost, Uppstu A, Schulz F, Hämäläinen SK, Ervasti M, Harju A, Liljeroth P. , Nano Lett. 10;14(9):5128-32. (2014) [9] Sun-Woo Kim, Hyun-Jung Kim, Jin-Ho Choi, Ralph H. Scheicher, and Jun-Hyung Cho , Phys. Rev. B 92, 035443 (2015) [10] Shaobin Tang and Zexing Cao , Phys. Chem. Chem. Phys. , 2313-2320 (2010) [11] Bi-Ru Wu and Chih-Kai Yang , AIP Advances 2, 012173 (2012) [12] Bi-Ru Wu and Chih-Kai Yang , AIP Advances 4, 087129 (2014) [13] Pierre Hohenberg ; Kohn Walter, Phys. Rev. B 136, 864 (1964) [14] Kohn Walter ; Sham Lu Jeu , Phys. Rev. A 140, 1133 (1965)
Description:	碩士國立政治大學應用物理研究所 102755013
Source URI:	http://thesis.lib.nccu.edu.tw/record/#G0102755013
Data Type:	thesis
Appears in Collections:	[Graduate Institute of Applied Physics] Theses

Files in This Item:

File	Size	Format
501301.pdf	4253Kb	Adobe PDF2	671	View/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