First-principles study on the transport properties of phenyl dithiol oligomers

被引：9
|
作者：
Chen, Xiao Chun [2 ,3 ]
Xu, Ying [3 ]
Zeng, Zhao Yang [1 ,3 ]
机构：
[1] Abdus Salam Int Ctr Theoret Phys, I-34100 Trieste, Italy
[2] Jiangxi BlueSky Univ, Inst Complex Biodynam, Nanchang 330098, Peoples R China
[3] Jiangxi Normal Univ, Dept Phys, Nanchang 330022, Peoples R China
来源：
PHYSICA B-CONDENSED MATTER | 2008年 / 403卷 / 17期
基金：
中国国家自然科学基金;
关键词：
molecular switch; equilibrium conductance; transmission spectra;
D O I：
10.1016/j.physb.2008.01.050
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We present first-principles studies on the transport properties of oligomers, polyphenyl dithiol, PP(n)DTs, sandwiched between two Al(1 0 0) electrodes. The variation of the current-voltage curve for PP(2)DT in different tilt. angles is investigated systematically. The results indicate that PP(2)DT can be functioned as a molecular switch controlled by molecular conformation. We also study the variation of the equilibrium conductance and current-voltage properties of PP(n)DT as a function of n. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码：2597 / 2601
页数：5
相关论文
共 23 条
  • [1] First-principles study on electron transport properties of carbon silicon mixed chains
    Hu, Wei
    Zhou, Qinghua
    Liang, Yan
    Liu, Wenhua
    Wang, Tao
    Wan, Haiqing
    MODERN PHYSICS LETTERS B, 2018, 32 (08):
  • [2] First-principles electronic transport properties study of small carbon clusters:: Cyclic C6
    Xu, Ying
    Zhou, Li-Ling
    Dai, Z. X.
    PHYSICS LETTERS A, 2008, 372 (24) : 4465 - 4468
  • [3] Electronic transport properties of a molecular switch with carbon nanotube electrodes: A first-principles study
    Zhao, P.
    Wang, P. J.
    Zhang, Z.
    Liu, D. S.
    PHYSICA B-CONDENSED MATTER, 2010, 405 (01) : 446 - 450
  • [4] First-principles study of the electronic transport properties of the anthraquinone-based molecular switch
    Zhao, P.
    Liu, D. S.
    Wang, P. J.
    Zhang, Z.
    Fang, C. F.
    Ji, G. M.
    PHYSICA B-CONDENSED MATTER, 2011, 406 (04) : 895 - 898
  • [5] Study on the electronic transport properties of the C14 monocyclic ring:: The first-principles calculations
    Chen, Xiao Chun
    Xu, Ying
    Dai, Z. X.
    PHYSICA B-CONDENSED MATTER, 2008, 403 (18) : 3185 - 3190
  • [6] First-principles study of the electronic transport properties of a dihydroazulene-based molecular optical switch
    Chen, Wei
    Chen, Runfeng
    Bian, Baoan
    Li, Xing-ao
    Wang, Lianhui
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2015, 1067 : 114 - 118
  • [7] First-principles calculation of the transport properties of silicon-carbon (Si-C) and alumium-nitrogen (Al-N) nanowires
    Chen Xiao-Chun
    Yang Jun
    Zhou Yan-Hong
    Xu Ying
    ACTA PHYSICA SINICA, 2009, 58 (05) : 3064 - 3070
  • [8] FIRST-PRINCIPLES STUDY ON PHOTOSWITCHING BEHAVIOR IN SINGLE MOLECULE JUNCTION
    Bian, Bao-An
    Zheng, Ya-Peng
    Yuan, Pei-Pei
    Liao, Bin
    Ding, Yu-Qiang
    SURFACE REVIEW AND LETTERS, 2018, 25 (03)
  • [9] A first-principles study of dihydroazulene as a possible optical molecular switch
    CaiJuan Xia
    DeSheng Liu
    HanChen Liu
    Science China Physics, Mechanics and Astronomy, 2011, 54 : 437 - 441
  • [10] First-principles study of repeated current switching in a bimolecular device
    Fan, Zhi-Qiang
    Zhang, Zhen-Hua
    Ming, Qiu
    Tang, Gui-Ping
    Chen, Ke-Qiu
    COMPUTATIONAL MATERIALS SCIENCE, 2012, 53 (01) : 294 - 297
123