光致异构体开关特性的理论研究

李英德; 李宗良; 冷建材; 李伟; 王传奎

doi:10.7498/aps.60.073101

摘要

利用弹性散射格林函数方法,对4,4-二羧基1,2-二苯乙烯分子的两种异构体与金电极构成的单分子结进行了研究. 研究表明,该类分子是通过末端羧基化学吸附于金表面的,两种分子结电导特性的差异主要是因为分子与电极的相互作用所致. 对每一种分子来说,都存在三种不同的稳定电导值,分别对应着分子末端与金表面的不同接触方式. 分子与金表面的相互作用导致分子结电子结构的变化是其电导差异的主要原因. 理论结果与实验测量结果符合得较好.

关键词:

Abstract

The electron transport properties of the single molecular junctions composed of isomers of 4,4-(ethene-1,2-diyl) dibenzoic acid and two gold electrodes are investigated systematically using elastic scattering Green's function method. The conductance characteristics are quite different for the two isomers which can be used to construct molecular switch. Our study shows that the molecules are chemically adsorbed on the gold surface by the terminal carboxyl group. Each molecular junction has three different stable conductances, which correspond to the different contact structures between the molecules and electrodes. The different conductances result mainly from the variation of the electronic structures, caused by the interaction between the molecules and the electrodes. Our theoretical simulation is consistent with the experimental measurement.

Keywords:

作者及机构信息

(1)山东轻工业学院数理学院,济南 250353; (2)山东师范大学物理与电子科学学院,济南 250014; (3)山东师范大学物理与电子科学学院,济南 250014;潍坊学院物理与电子科学学院,潍坊 261061

基金项目: 国家自然科学基金(批准号: 10804064)和山东省自然科学基金 (批准号:ZR2010AL024)资助的课题.

Authors and contacts

(1)College of Mathematics and Physics, Shandong Institute of Light Industry,Jinan 250353,China; (2)College of Physics and Electronics, Shandong Normal University, Jinan 250014, China; (3)College of Physics and Electronics, Shandong Normal University, Jinan 250014, China;College of Physics and Electronis, Weifang University, Weifang 261061, China

参考文献

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[19]	Fu M D, Chen I W P, Lu H C, Kuo C T, Tseng W H, Chen C H 2007 J. Phys. Chem. C 111 11450
[20]	Li C, Pobelov I, Wandlowski T, Bagrets A, Arnold A, Evers F 2008 J. Am. Chem. Soc. 130 318
[21]	Fujihira M, Suzuki M, Fujii S 2006 Phys. Chem. Chem.Phys. 8 3876
[22]	Haiss W, Martin S, Leary E, vanzalinge H, Higgins S J, Bouffier L, Nichols R J 2009 J. Phys. Chem. C 113 5823
[23]	Chen F, Li X, Hihath J, Huang Z, Tao N 2006 J. Am. Chem. Soc. 128 15874
[24]	Kamenetska M, Quek S Y, Whalley A C, Steigerwald M L, Choi H J, Louie S J, Nuckolls C, Hybertsen M S, Neaton J B, Venkataraman L 2010 J. Am. Chem. Soc.132 6817
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施引文献

[1]	Kockmann D, Poelsema B, Zandvliet H J W 2009 Nano Lett. 9 1147
[2]	Martin S, Grace I,Bryce M R Wang C S, Batsanov A S, Higgins S J, Lambert C J, Nichols R J 2010 J. Am. Chem. Soc. 132 9157
[3]	Ricci A M, Calvo E J, Martin S, Nichols R J 2010 J. Am. Chem. Soc. 132 2494
[4]	Hu H L, Zhang K, Wang Z X, Wang X P 2006 Acta Phys. Sin. 55 1430(in Chinese)[胡海龙、张琨、王振兴、王晓平 2006 物理学报 55 1430]
[5]	Hu H L, Zhang K, Wang Z X, Kong T, Hu Y, Wang X P 2007 Acta Phys. Sin.56 1674(in Chinese)[胡海龙、张琨、王振兴、孔涛、胡颖、王晓平 2007 物理学报 56 1674]
[6]	Hall L E, Reimers J R, Hush N S, Silverbrook K 2000 J.Chem.Phys. 112 1510
[7]	Yaliraki S N, Kemp M, Rather M A 1999 J. Am. Chem .Soc. 121 3428
[8]	Tian W, Datta S, Hong S, Reifenberger R, Henderson J I, Kubiak C P 1998 J. Chem. Phys. 109 2874
[9]	Wang C K, Fu Y, Luo Y 2001 Phys. Chem.Chem.Phys. 3 5017
[10]	Wang C K, Luo Y 2003 J. Chem. Phys. 119 4923
[11]	Luo Y, Wang C K, Fu Y 2003 Chem. Phys. Lett. 369 299
[12]	Wang C K, Li H H, Li Y D, Luo Y, Fu Y 2003 Science in China 46 13
[13]	Li Y D 2006 Acta Phys. Sin.55 2997(in Chinese)[李英德 2006 物理学报 55 2997]
[14]	Donhauser Z J, Mantooth B A, Kelly K F 2001 Science 292 2303
[15]	Tour J M, Wu R, Schummg S 1990 J. Am. Chem .Soc. 112 5662
[16]	Tour J M, Jones L, Pearson D L 1995 J. Am. Chem .Soc. 117 9529
[17]	Martin S, Haiss W, Higgins S J, Nichols R J 2010 Nano Lett. 10 2019
[18]	Li X,He J, Hihath J, Xu B, Lindsay S M, Tao N 2006 J. Am.Chem. Soc. 128 2135
[19]	Fu M D, Chen I W P, Lu H C, Kuo C T, Tseng W H, Chen C H 2007 J. Phys. Chem. C 111 11450
[20]	Li C, Pobelov I, Wandlowski T, Bagrets A, Arnold A, Evers F 2008 J. Am. Chem. Soc. 130 318
[21]	Fujihira M, Suzuki M, Fujii S 2006 Phys. Chem. Chem.Phys. 8 3876
[22]	Haiss W, Martin S, Leary E, vanzalinge H, Higgins S J, Bouffier L, Nichols R J 2009 J. Phys. Chem. C 113 5823
[23]	Chen F, Li X, Hihath J, Huang Z, Tao N 2006 J. Am. Chem. Soc. 128 15874
[24]	Kamenetska M, Quek S Y, Whalley A C, Steigerwald M L, Choi H J, Louie S J, Nuckolls C, Hybertsen M S, Neaton J B, Venkataraman L 2010 J. Am. Chem. Soc.132 6817
[25]	Ko C H, Huang M J, Fu M D, Chen C H 2010 J. Am. Chem. Soc. 132 756
[26]	Wang C S, Batsanov A S, Bryce M R, Martin S, Nichols R J, Higgins S J, Lambert C J 2009 J. Am. Chem. Soc. 131 15647

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