Effect of Chirality on the Electronic Transport Properties of the Thioxanthene-Based Molecular Switch
Cai-Juan Xia** , Bo-Qun Zhang, Mao Yang, Chun-Lan Wang, Ai-Yun Yang
School of Science, Xi'an Polytechnic University, Xi'an 710048
Abstract ：Based on the nonequilibrium Green function method and density functional theory calculations, we theoretically investigate the effect of chirality on the electronic transport properties of thioxanthene-based molecular switch. The molecule comprises the switch which can exhibit different chiralities, that is, cis-form and trans-form by ultraviolet or visible irradiation. The results clearly reveal that the switching behaviors can be realized when the molecule converts between cis-form and trans-form. Furthermore, the on-off ratio can be modulated by the chirality of the carbon nanotube electrodes. The maximum on-off ratio can reach 109 at 0.4 V for the armchair junction, suggesting potential applications of this type of junctions in future design of functional molecular devices.
收稿日期: 2015-11-12
出版日期: 2016-04-29
:
71.15.Mb
(Density functional theory, local density approximation, gradient and other corrections)
73.23.-b
(Electronic transport in mesoscopic systems)
85.65.+h
(Molecular electronic devices)
[1] Heath J R and Ratner M A 2003 Phys. Today 56 43 [2] Halbritter A, Csonka S, Mihaly G, Jurdik E, Kolesnychenko O Y, Shklyarevskii O I, Speller S and Kempen H 2003 Phys. Rev. B 68 035417 [3] Smit R H M, Noat Y, Untiedt C, Lang N D, Hemert M C and Ruitenbeek J M 2002 Nature 419 906 [4] Chen J, Reed M A, Rawlett A M and Tour J M 1999 Science 286 1550 [5] Qiu M, Zhang Z H, Fan Z Q, Deng X Q and Pan J B 2011 J. Phys. Chem. C 115 11734 [6] Lee S U, Belosludov R V, Mizuseki H and Kawazoe Y 2011 Nanoscale 3 1773 [7] Zeng J, Chen K Q, He J, Zhang X J and Hu W P 2011 Org. Electron. 12 1606 [8] An Y P, Yang Z Q and Ratner M A 2011 J. Phys. Chem. 135 044706 [9] Ren Y, Chen K Q, He J, Tang L M, Pan A L, Zou B S and Zhang Y 2010 Appl. Phys. Lett. 97 103506 [10] Katsonic N, Kudernac T, Walko M, Wees B J and Feringa B L 2006 Adv. Mater. 18 1397 [11] Li J, Yang S Y and Li S S 2015 Chin. Phys. Lett. 32 077102 [12] Xia C J, Liu D S and Zhang Y T 2011 Chin. Phys. Lett. 28 093102 [13] Bandarab H M D and Burdette S C 2012 Chem. Soc. Rev. 41 1809 [14] Beharry A A and Woolley G A 2011 Chem. Soc. Rev. 40 4422 [15] Whalley A C, Steigerwald M L, Guo X F and Nuckolls C 2007 J. Am. Chem. Soc. 129 12590 [16] Berkovic G, Krongauz V and Weiss V 2000 Chem. Rev. 100 1741 [17] Tomasulo M, Sortino S, White A J P and Raymo F M 2005 J. Org. Chem. 70 8180 [18] Jockusch S, Turro N J and Blackburn F R 2002 J. Phys. Chem. A 106 9236 [19] Sheepwash M A L, Mitchell R H and Bohne C 2002 J. Am. Chem. Soc. 124 4693 [20] Benesch C, Rode M F, Cizek M, Hartle R, Rubio-Pons O, Thoss M and Sobolewski A L 2009 J. Phys. Chem. C 113 10315 [21] Feringa B L 2001 Acc. Chem. Res. 34 504 [22] Braga S F, Galvao D S, Barone P M and Dantas S O 2001 J. Phys. Chem. B 105 8334 [23] Delden R A, Huck N P, Piet J J, Warman J M, Meskers S C J, Dekkers H P and Feringa B L 2003 J. Am. Chem. Soc. 125 15659 [24] Cao Y, Dong S H, Liu S, Liu Z F and Guo X F 2013 Angew. Chem. Int. Ed. 52 3906 [25] Jia C C, Wang J Y, Yao C J, Cao Y, Zhong Y W, Liu Z R, Liu Z F and Guo X F 2013 Angew. Chem. Int. Ed. 52 8666 [26] Guo X, Small J P, Klare J E, Wang Y, Purewal M S, Tam I W, Hong B H, Caldwell R, Huang L, Breslow R, Wind S J, Hone J, Kim P and Nuckolls C 2006 Science 311 356 [27] Ke S H, Baranger H U and Yang W T 2005 J. Chem. Phys. 122 074704 [28] Yu J X, Hou Z W and Liu X Y 2015 Chin. Phys. B 24 067307 [29] Cheng D, Kim W Y, Min S K, Nautiyal T and Kim K S 2006 Phys. Rev. Lett. 96 096104 [30] Bruque N A, Pandey R R and Lake R K 2007 Phys. Rev. B 76 205322 [31] Chen W C, Lee Y W and Chen C T 2010 Org. Lett. 12 1472 [32] Brandbyge M, Mozos J L, Ordejon P, Taylor J and Stokbro K 2002 Phys. Rev. B 65 165401 [33] Taylor J, Guo H and Wang J 2001 Phys. Rev. B 63 245407 [34] Ceperley D M and Aler B J 1980 Phys. Rev. Lett. 45 566 [35] Troullier N and Martins J 1991 Phys. Rev. B 43 1993 [36] Soler J M, Artacho E, Gale J D, GarcíA, Junquera J, Ordejón P and Sánchez D P 2002 J. Phys.: Condens. Matter 14 2745 [37] Datta S 1995 Electronic Transport in Mesoscopic Systems (New York: Cambridge University Press) [38] Long M Q, Wang L L, Chen K Q, Li X F, Zou B S and Shuai Z G 2007 Phys. Lett. A 365 489 [39] Geng H, Yin S W, Chen K Q and Shuai Z G 2005 J. Phys. Chem. B 109 12304 [40] Wan H Q, Zhou B H, Chen X W, Sun C Q and Zhou G H 2012 J. Phys. Chem. C 116 2570 [41] An Y P and Yang Z Q 2012 J. Appl. Phys. 111 043713
[1]
.
[2]
.
[3]
.
[4]
.
[5]
.
[6]
.
[7]
.
[8]
.
[9]
.
[10]
.
[11]
.
[12]
.
[13]
.
[14]
.
[15]
.
2016, Vol. 33 
